3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

C26H29N7O2 — CID 142313371

IUPAC3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc3c(cnn3CCN(C)C)c2)c1N
InChIInChI=1S/C26H29N7O2/c1-16-4-5-18(26(35)30-20-7-8-20)13-23(16)33-25(27)21(15-29-33)24(34)17-6-9-22-19(12-17)14-28-32(22)11-10-31(2)3/h4-6,9,12-15,20H,7-8,10-11,27H2,1-3H3,(H,30,35)
InChIKeyKQQCPJPSLWZEHZ-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.80
Rot. Bonds8

About 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 142313371) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID142313371
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC Name3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc3c(cnn3CCN(C)C)c2)c1N
InChIInChI=1S/C26H29N7O2/c1-16-4-5-18(26(35)30-20-7-8-20)13-23(16)33-25(27)21(15-29-33)24(34)17-6-9-22-19(12-17)14-28-32(22)11-10-31(2)3/h4-6,9,12-15,20H,7-8,10-11,27H2,1-3H3,(H,30,35)
InChIKeyKQQCPJPSLWZEHZ-UHFFFAOYSA-N
XLogP2.80
TPSA111.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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
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-[3-[2-[bis(2-hydroxyethyl)amino]ethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide;3-[5-amino-4-[3-[2-(dimethylamino)ethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 87236368
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
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-(2,3-dihydro-1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313359
3-[5-amino-4-[3-[2-(3-aminopyrrolidin-1-yl)-2-oxoethoxy]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089036
3-[5-amino-4-[3-[[2-(3-chlorophenyl)ethylamino]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089046
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

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 142313371) is 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2ccc3c(cnn3CCN(C)C)c2)c1N.
What is the InChIKey of 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is KQQCPJPSLWZEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-16-4-5-18(26(35)30-20-7-8-20)13-23(16)33-25(27)21(15-29-33)24(34)17-6-9-22-19(12-17)14-28-32(22)11-10-31(2)3/h4-6,9,12-15,20H,7-8,10-11,27H2,1-3H3,(H,30,35).
What are the key properties of 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 471.57 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-[1-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 142313371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).