2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide

C22H20ClN5O3 — CID 134008263

IUPAC2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC1CC1
InChIInChI=1S/C22H20ClN5O3/c23-16-8-6-15(7-9-16)19-18(13-28(27-19)12-14-4-2-1-3-5-14)20(29)25-26-22(31)21(30)24-17-10-11-17/h1-9,13,17H,10-12H2,(H,24,30)(H,25,29)(H,26,31)
InChIKeyPQXMKARNWRRXQC-UHFFFAOYSA-N
MW437.89 g/mol
LogP2.29
Rot. Bonds5

About 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide

2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide (PubChem CID 134008263) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide
PubChem CID134008263
Molecular FormulaC22H20ClN5O3
Molecular Weight437.89 g/mol
Exact Mass437.13
IUPAC Name2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide
SMILESO=C(NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC1CC1
InChIInChI=1S/C22H20ClN5O3/c23-16-8-6-15(7-9-16)19-18(13-28(27-19)12-14-4-2-1-3-5-14)20(29)25-26-22(31)21(30)24-17-10-11-17/h1-9,13,17H,10-12H2,(H,24,30)(H,25,29)(H,26,31)
InChIKeyPQXMKARNWRRXQC-UHFFFAOYSA-N
XLogP2.29
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-(4-chlorophenyl)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 46477065
1-benzyl-3-(4-chlorophenyl)-N-ethylpyrazole-4-carboxamide
CID 56827699
1-benzyl-N-cyclopropyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9461304
1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 35239031
1-benzyl-3-(4-chlorophenyl)-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 51180334
1-benzyl-3-(4-methoxyphenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119449675
1-benzyl-3-(4-chlorophenyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 46629111
1-benzyl-3-(4-chlorophenyl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazole-4-carboxamide
CID 154851175
1-benzyl-3-(4-methylphenyl)-N-[(3R)-6-oxopiperidin-3-yl]pyrazole-4-carboxamide
CID 95689853
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494
2-[4-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-N-ethylacetamide
CID 36521915
[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493749

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide?
The IUPAC name of 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide (CID 134008263) is 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide.
What is the SMILES notation for 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide?
The canonical SMILES for 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide is O=C(NNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NC1CC1.
What is the InChIKey of 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide?
The InChIKey is PQXMKARNWRRXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c23-16-8-6-15(7-9-16)19-18(13-28(27-19)12-14-4-2-1-3-5-14)20(29)25-26-22(31)21(30)24-17-10-11-17/h1-9,13,17H,10-12H2,(H,24,30)(H,25,29)(H,26,31).
What are the key properties of 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide?
2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide has a molecular weight of 437.89 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-benzyl-3-(4-chlorophenyl)pyrazole-4-carbonyl]hydrazinyl]-N-cyclopropyl-2-oxoacetamide is sourced from PubChem (CID 134008263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).