3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

C21H26N4O2 — CID 67014695

IUPAC3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1nc(C(=O)C2CCCCC2)cc1N
InChIInChI=1S/C21H26N4O2/c1-13-7-8-15(21(27)23-16-9-10-16)11-18(13)25-19(22)12-17(24-25)20(26)14-5-3-2-4-6-14/h7-8,11-12,14,16H,2-6,9-10,22H2,1H3,(H,23,27)
InChIKeyUNYUMNQEJBFGKJ-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.42
Rot. Bonds5

About 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 67014695) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID67014695
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1nc(C(=O)C2CCCCC2)cc1N
InChIInChI=1S/C21H26N4O2/c1-13-7-8-15(21(27)23-16-9-10-16)11-18(13)25-19(22)12-17(24-25)20(26)14-5-3-2-4-6-14/h7-8,11-12,14,16H,2-6,9-10,22H2,1H3,(H,23,27)
InChIKeyUNYUMNQEJBFGKJ-UHFFFAOYSA-N
XLogP3.42
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide;3-[5-amino-4-(4-fluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 67014694
4-amino-N-cyclohexyl-3-methylbenzamide
CID 16773559
3-(5-amino-4-benzoyl-3-methylsulfonylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide
CID 11385092
N-cyclopropyl-3-(2,4-diamino-1,3,5-triazaspiro[5.5]undeca-1,3-dien-5-yl)-4-methylbenzamide
CID 169374961
5-amino-N-(4-tert-butylcyclohexyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 58089045
5-amino-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylperoxysulfanylpyrazole-4-carboxamide
CID 58088979
3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11486097
3-[5-amino-4-(3-methoxy-4-methylbenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142992738
bis(3-(5-amino-4-benzoylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide);3-(5-amino-4-benzoylpyrazol-1-yl)-4-methylbenzoic acid;cyclopropanamine
CID 157110865
3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11440828
N-cyclohexyl-4-hydroxy-3-methylbenzamide
CID 113355938
3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313318

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 67014695) is 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1nc(C(=O)C2CCCCC2)cc1N.
What is the InChIKey of 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is UNYUMNQEJBFGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-7-8-15(21(27)23-16-9-10-16)11-18(13)25-19(22)12-17(24-25)20(26)14-5-3-2-4-6-14/h7-8,11-12,14,16H,2-6,9-10,22H2,1H3,(H,23,27).
What are the key properties of 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 366.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 67014695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).