Chemical Properties of Tolfenpyrad (CAS 129558-76-5)

Tolfenpyrad

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InChI
InChI=1S/C21H22ClN3O2/c1-4-18-19(22)20(25(3)24-18)21(26)23-13-15-7-11-17(12-8-15)27-16-9-5-14(2)6-10-16/h5-12H,4,13H2,1-3H3,(H,23,26)
InChI Key
WPALTCMYPARVNV-UHFFFAOYSA-N
Formula
C21H22ClN3O2
SMILES
CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1Cl
Molecular Weight1
383.87
CAS
129558-76-5
Other Names
  • 1H-Pyrazole-5-carboxamide, 4-chloro-3-ethyl-1-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]-
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Physical Properties

Property Value Unit Source
ω 0.9131 Relay (... Calculated Property
ΔfG° 243.82 kJ/mol Relay (... Calculated Property ⚠️
ΔfH°gas -84.23 kJ/mol Relay (... Calculated Property
ΔvapH° 122.97 kJ/mol Relay (... Calculated Property
IE 7.37 eV Relay (... Calculated Property
log10WS -5.09 Relay (... Calculated Property
logPoct/wat 4.667 Crippen Calculated Property
McVol 289.390 ml/mol McGowan Calculated Property
Pc 1763.58 kPa Relay (... Calculated Property ⚠️
Inp 3106.00 NIST
Tboil 714.11 K Relay (... Calculated Property
Tc 1057.73 K Relay (... Calculated Property
Tfus 406.51 K Relay (... Calculated Property
Vc 1.058 m3/kmol Relay (... Calculated Property

Similar Compounds

TEBUFENPYRAD. Argentamin. Epibaptifoline. Baptifoline. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. Methysergide. Heptafluorobutyryl-codeine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

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Sources

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