1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide

C19H24BrN3O — CID 60520229

IUPAC1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC1CCCC(C)C1
InChIInChI=1S/C19H24BrN3O/c1-12-5-4-6-16(11-12)21-19(24)18-13(2)22-23(14(18)3)17-9-7-15(20)8-10-17/h7-10,12,16H,4-6,11H2,1-3H3,(H,21,24)
InChIKeyKMCYMHVVDRHXIU-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.56
Rot. Bonds3

About 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide

1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide (PubChem CID 60520229) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide
PubChem CID60520229
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC1CCCC(C)C1
InChIInChI=1S/C19H24BrN3O/c1-12-5-4-6-16(11-12)21-19(24)18-13(2)22-23(14(18)3)17-9-7-15(20)8-10-17/h7-10,12,16H,4-6,11H2,1-3H3,(H,21,24)
InChIKeyKMCYMHVVDRHXIU-UHFFFAOYSA-N
XLogP4.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9268507
3,5-dimethyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119424409
N-(4-aminocyclohexyl)-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 119477007
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63043268
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
3,5-dimethyl-N-(1-methylsulfonylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 46566455
[1-(4-bromophenyl)-3,5-dimethylpyrazol-4-yl]-[(3S)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 97065528
cis-(1R,3S)-3-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678653
4-methyl-N-[(1R,3R)-3-methylcyclohexyl]benzamide
CID 41098153
5-bromo-2-methyl-N-(3-methylcyclopentyl)benzamide
CID 114546768
1-[4-[1-(4-bromophenyl)-3,5-dimethylpyrazole-4-carbonyl]piperazin-1-yl]-2-cyclopentylethanone
CID 55859690

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide (CID 60520229) is 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide is Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)NC1CCCC(C)C1.
What is the InChIKey of 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide?
The InChIKey is KMCYMHVVDRHXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c1-12-5-4-6-16(11-12)21-19(24)18-13(2)22-23(14(18)3)17-9-7-15(20)8-10-17/h7-10,12,16H,4-6,11H2,1-3H3,(H,21,24).
What are the key properties of 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide?
1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3,5-dimethyl-N-(3-methylcyclohexyl)pyrazole-4-carboxamide is sourced from PubChem (CID 60520229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).