3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

C32H33ClN6O2 — CID 11192362

IUPAC3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)c1N
InChIInChI=1S/C32H33ClN6O2/c1-21-8-9-24(32(41)36-26-10-11-26)17-29(21)39-31(34)28(19-35-39)30(40)23-5-2-4-22(16-23)20-37-12-14-38(15-13-37)27-7-3-6-25(33)18-27/h2-9,16-19,26H,10-15,20,34H2,1H3,(H,36,41)
InChIKeyMPJRRONNCAIPHI-UHFFFAOYSA-N
MW569.11 g/mol
LogP4.86
Rot. Bonds8

About 3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide

3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (PubChem CID 11192362) has the molecular formula C32H33ClN6O2 and a molecular weight of 569.11 g/mol. Its IUPAC name is 3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
PubChem CID11192362
Molecular FormulaC32H33ClN6O2
Molecular Weight569.11 g/mol
Exact Mass568.24
IUPAC Name3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)c1N
InChIInChI=1S/C32H33ClN6O2/c1-21-8-9-24(32(41)36-26-10-11-26)17-29(21)39-31(34)28(19-35-39)30(40)23-5-2-4-22(16-23)20-37-12-14-38(15-13-37)27-7-3-6-25(33)18-27/h2-9,16-19,26H,10-15,20,34H2,1H3,(H,36,41)
InChIKeyMPJRRONNCAIPHI-UHFFFAOYSA-N
XLogP4.86
TPSA96.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.11
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-amino-4-(3-chlorobenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11440828
3-[5-amino-4-[3-[[2-(3-chlorophenyl)ethylamino]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 58089046
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
5-amino-N-(4-tert-butylcyclohexyl)-1-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrazole-4-carboxamide
CID 58089045
3-[5-amino-4-(4-methoxybenzoyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 11486097
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-(1H-indole-5-carbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 142313385
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-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide (CID 11192362) is 3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-n1ncc(C(=O)c2cccc(CN3CCN(c4cccc(Cl)c4)CC3)c2)c1N.
What is the InChIKey of 3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is MPJRRONNCAIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33ClN6O2/c1-21-8-9-24(32(41)36-26-10-11-26)17-29(21)39-31(34)28(19-35-39)30(40)23-5-2-4-22(16-23)20-37-12-14-38(15-13-37)27-7-3-6-25(33)18-27/h2-9,16-19,26H,10-15,20,34H2,1H3,(H,36,41).
What are the key properties of 3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide?
3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 569.11 g/mol, XLogP of 4.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-4-[3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoyl]pyrazol-1-yl]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 11192362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).