1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C20H23ClF3N3O2 — CID 90825124

IUPAC1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC(CO)CC1CCCCC1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C20H23ClF3N3O2/c21-14-6-8-16(9-7-14)27-18(20(22,23)24)17(11-25-27)19(29)26-15(12-28)10-13-4-2-1-3-5-13/h6-9,11,13,15,28H,1-5,10,12H2,(H,26,29)
InChIKeyPUABPNZHXRZVRH-UHFFFAOYSA-N
MW429.87 g/mol
LogP4.61
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 90825124) has the molecular formula C20H23ClF3N3O2 and a molecular weight of 429.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID90825124
Molecular FormulaC20H23ClF3N3O2
Molecular Weight429.87 g/mol
Exact Mass429.14
IUPAC Name1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NC(CO)CC1CCCCC1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C20H23ClF3N3O2/c21-14-6-8-16(9-7-14)27-18(20(22,23)24)17(11-25-27)19(29)26-15(12-28)10-13-4-2-1-3-5-13/h6-9,11,13,15,28H,1-5,10,12H2,(H,26,29)
InChIKeyPUABPNZHXRZVRH-UHFFFAOYSA-N
XLogP4.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.87
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 11474632
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 122135515
1-(4-chlorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 120948679
1-(4-chlorophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55878361
1-(4-chlorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46669190
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 21105026
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670
3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250293
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55675778
(2S)-2-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 58718049
1-(4-chlorophenyl)-N-[(2S,3R)-3-hydroxy-4-phenylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 97238123

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 90825124) is 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NC(CO)CC1CCCCC1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PUABPNZHXRZVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3N3O2/c21-14-6-8-16(9-7-14)27-18(20(22,23)24)17(11-25-27)19(29)26-15(12-28)10-13-4-2-1-3-5-13/h6-9,11,13,15,28H,1-5,10,12H2,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 429.87 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1-cyclohexyl-3-hydroxypropan-2-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90825124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).