5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C25H25ClF3N3O — CID 129010782

IUPAC5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)nn(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClF3N3O/c1-15-3-11-20(12-4-15)30-24(33)22-16(2)23(17-5-9-19(26)10-6-17)32(31-22)21-13-7-18(8-14-21)25(27,28)29/h5-10,13-15,20H,3-4,11-12H2,1-2H3,(H,30,33)
InChIKeyKOSMTTLPIORXNC-UHFFFAOYSA-N
MW475.94 g/mol
LogP6.83
Rot. Bonds4

About 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 129010782) has the molecular formula C25H25ClF3N3O and a molecular weight of 475.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID129010782
Molecular FormulaC25H25ClF3N3O
Molecular Weight475.94 g/mol
Exact Mass475.16
IUPAC Name5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)NC2CCC(C)CC2)nn(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H25ClF3N3O/c1-15-3-11-20(12-4-15)30-24(33)22-16(2)23(17-5-9-19(26)10-6-17)32(31-22)21-13-7-18(8-14-21)25(27,28)29/h5-10,13-15,20H,3-4,11-12H2,1-2H3,(H,30,33)
InChIKeyKOSMTTLPIORXNC-UHFFFAOYSA-N
XLogP6.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.94
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 129010782) is 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is Cc1c(C(=O)NC2CCC(C)CC2)nn(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is KOSMTTLPIORXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N3O/c1-15-3-11-20(12-4-15)30-24(33)22-16(2)23(17-5-9-19(26)10-6-17)32(31-22)21-13-7-18(8-14-21)25(27,28)29/h5-10,13-15,20H,3-4,11-12H2,1-2H3,(H,30,33).
What are the key properties of 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 475.94 g/mol, XLogP of 6.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-methyl-N-(4-methylcyclohexyl)-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 129010782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).