N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

C25H29N3O — CID 73213157

IUPACN-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3ccc(C4CCCCC4)cc3)cc2C)cc1
InChIInChI=1S/C25H29N3O/c1-18-8-10-20(11-9-18)17-28-19(2)16-24(27-28)25(29)26-23-14-12-22(13-15-23)21-6-4-3-5-7-21/h8-16,21H,3-7,17H2,1-2H3,(H,26,29)
InChIKeyIPGZTBHTOQYGCD-UHFFFAOYSA-N
MW387.53 g/mol
LogP5.85
Rot. Bonds5

About N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide

N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 73213157) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID73213157
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
SMILESCc1ccc(Cn2nc(C(=O)Nc3ccc(C4CCCCC4)cc3)cc2C)cc1
InChIInChI=1S/C25H29N3O/c1-18-8-10-20(11-9-18)17-28-19(2)16-24(27-28)25(29)26-23-14-12-22(13-15-23)21-6-4-3-5-7-21/h8-16,21H,3-7,17H2,1-2H3,(H,26,29)
InChIKeyIPGZTBHTOQYGCD-UHFFFAOYSA-N
XLogP5.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 91004769
N-(2-fluorophenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide
CID 73213307
N-(4-tert-butylphenyl)-1-[(4-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxamide
CID 73213311
6-cyclohexyl-2-[5-methyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-benzimidazole
CID 135876004
5-[[3-[(Z)-2-(4-cyclohexylphenyl)-1-fluoroethenyl]-5-methylpyrazol-1-yl]methyl]-N-methylpyridin-2-amine
CID 71226937
1-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 41247833
N-(4-cyclohexylphenyl)-3-(3,4-dichlorophenyl)-1-[[4-(2H-tetrazol-5-ylcarbamoyl)phenyl]methyl]pyrazole-5-carboxamide
CID 11721429
1-benzyl-5-methylpyrazole-3-carbohydrazide
CID 26597167
5-chloro-N-[4-[cyclohexyl(methyl)carbamoyl]phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 52713102
N-(4-methylphenyl)-6-oxo-1-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 41247807
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(4-cyclohexylphenyl)sulfonyl-1,5-dimethylpyrazole-3-carboxamide
CID 78904587

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide (CID 73213157) is N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is Cc1ccc(Cn2nc(C(=O)Nc3ccc(C4CCCCC4)cc3)cc2C)cc1.
What is the InChIKey of N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is IPGZTBHTOQYGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c1-18-8-10-20(11-9-18)17-28-19(2)16-24(27-28)25(29)26-23-14-12-22(13-15-23)21-6-4-3-5-7-21/h8-16,21H,3-7,17H2,1-2H3,(H,26,29).
What are the key properties of N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide?
N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 5.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-5-methyl-1-[(4-methylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 73213157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).