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

C21H19ClN4O2 — CID 11440828

IUPAC3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(Cl)c2)c1N
InChIInChI=1S/C21H19ClN4O2/c1-12-5-6-14(21(28)25-16-7-8-16)10-18(12)26-20(23)17(11-24-26)19(27)13-3-2-4-15(22)9-13/h2-6,9-11,16H,7-8,23H2,1H3,(H,25,28)
InChIKeyCBZDQAKGPASDBV-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.54
Rot. Bonds5

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

3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 11440828) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID11440828
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(Cl)c2)c1N
InChIInChI=1S/C21H19ClN4O2/c1-12-5-6-14(21(28)25-16-7-8-16)10-18(12)26-20(23)17(11-24-26)19(27)13-3-2-4-15(22)9-13/h2-6,9-11,16H,7-8,23H2,1H3,(H,25,28)
InChIKeyCBZDQAKGPASDBV-UHFFFAOYSA-N
XLogP3.54
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-amino-4-[3-[[2-(3-chlorophenyl)ethylamino]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089046
3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11192362
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-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11486097
5-amino-N-(4-tert-butylcyclohexyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 58089045
3-[5-amino-4-(1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313385
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
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-[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-[2-(dimethylamino)ethyl]indazole-5-carbonyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313371

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 11440828) is 3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(Cl)c2)c1N.
What is the InChIKey of 3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is CBZDQAKGPASDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-12-5-6-14(21(28)25-16-7-8-16)10-18(12)26-20(23)17(11-24-26)19(27)13-3-2-4-15(22)9-13/h2-6,9-11,16H,7-8,23H2,1H3,(H,25,28).
What are the key properties of 3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 394.86 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 11440828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).