5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide

C17H20ClN3O — CID 58433770

IUPAC5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2Cl)cc1
InChIInChI=1S/C17H20ClN3O/c1-12-7-9-14(10-8-12)21-16(18)15(11-19-21)17(22)20-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,22)
InChIKeyAAGISQIJWCRZSI-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.90
Rot. Bonds3

About 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide

5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 58433770) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID58433770
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2Cl)cc1
InChIInChI=1S/C17H20ClN3O/c1-12-7-9-14(10-8-12)21-16(18)15(11-19-21)17(22)20-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,22)
InChIKeyAAGISQIJWCRZSI-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[5-chloro-4-(cyclohexylcarbamoyl)pyrazol-1-yl]phenyl] acetate
CID 59516109
N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918586
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
N-cyclohexyl-1-(2,4-dichlorophenyl)-5-(4-methylphenyl)pyrazole-4-carboxamide
CID 25186509
4-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229971
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332
N-cyclohexyl-6-methyl-2-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 46323629
cis-(1S,3R)-3-[[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676356
N-cyclooctyl-4-methylbenzamide
CID 3995245
5-amino-N-cyclohexyl-1-[4-(methylperoxymethyl)phenyl]pyrazole-4-carboxamide
CID 88902817
3-(2-chlorophenyl)-N-cyclohexyl-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 5038891
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 58433770) is 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(-n2ncc(C(=O)NC3CCCCC3)c2Cl)cc1.
What is the InChIKey of 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is AAGISQIJWCRZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-12-7-9-14(10-8-12)21-16(18)15(11-19-21)17(22)20-13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,20,22).
What are the key properties of 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 317.82 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclohexyl-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58433770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).