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

C42H45FN8O4 — CID 67014694

IUPAC3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide;3-[5-amino-4-(4-fluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1nc(C(=O)C2CCCCC2)cc1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C21H19FN4O2.C21H26N4O2/c1-12-2-3-14(21(28)25-16-8-9-16)10-18(12)26-20(23)17(11-24-26)19(27)13-4-6-15(22)7-5-13;1-13-7-8-15(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/h2-7,10-11,16H,8-9,23H2,1H3,(H,25,28);7-8,11-12,14,16H,2-6,9-10,22H2,1H3,(H,23,27)
InChIKeyAWIDZXVLJKYDRY-UHFFFAOYSA-N
MW744.87 g/mol
LogP6.44
Rot. Bonds10

About 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

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 (PubChem CID 67014694) has the molecular formula C42H45FN8O4 and a molecular weight of 744.87 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide;3-[5-amino-4-(4-fluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID67014694
Molecular FormulaC42H45FN8O4
Molecular Weight744.87 g/mol
Exact Mass744.35
IUPAC Name3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide;3-[5-amino-4-(4-fluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1nc(C(=O)C2CCCCC2)cc1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc(F)cc2)c1N
InChIInChI=1S/C21H19FN4O2.C21H26N4O2/c1-12-2-3-14(21(28)25-16-8-9-16)10-18(12)26-20(23)17(11-24-26)19(27)13-4-6-15(22)7-5-13;1-13-7-8-15(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/h2-7,10-11,16H,8-9,23H2,1H3,(H,25,28);7-8,11-12,14,16H,2-6,9-10,22H2,1H3,(H,23,27)
InChIKeyAWIDZXVLJKYDRY-UHFFFAOYSA-N
XLogP6.44
TPSA180.02 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.87
LogP ≤ 56.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[5-amino-3-(cyclohexanecarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 67014695
3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11486097
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-methoxy-4-methylbenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142992738
3-[5-amino-4-(1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313385
3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11440828
3-[5-amino-4-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313359
3-[5-amino-4-(1-methyl-3,4-dihydro-2H-quinoline-7-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313318
5-amino-N-(4-tert-butylcyclohexyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 58089045
3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313371
5-amino-N-(1-cyclohexylethyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide;2-morpholin-4-ylethanamine
CID 172800412
3-[5-amino-4-[3-[[2-(3-chlorophenyl)ethylamino]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089046

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C(=O)NC2CC2)cc1-n1nc(C(=O)C2CCCCC2)cc1N.Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc(F)cc2)c1N.
What is the InChIKey of 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?
The InChIKey is AWIDZXVLJKYDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2.C21H26N4O2/c1-12-2-3-14(21(28)25-16-8-9-16)10-18(12)26-20(23)17(11-24-26)19(27)13-4-6-15(22)7-5-13;1-13-7-8-15(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/h2-7,10-11,16H,8-9,23H2,1H3,(H,25,28);7-8,11-12,14,16H,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-4-(4-fluorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
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 has a molecular weight of 744.87 g/mol, XLogP of 6.44, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67014694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).