3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide

C23H17ClN4O3 — CID 3977043

IUPAC3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nn2-c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C23H17ClN4O3/c1-15-9-11-16(12-10-15)25-23(29)22-14-21(19-7-2-3-8-20(19)24)26-27(22)17-5-4-6-18(13-17)28(30)31/h2-14H,1H3,(H,25,29)
InChIKeyLKLGCFMHAYIOLJ-UHFFFAOYSA-N
MW432.87 g/mol
LogP5.66
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 3977043) has the molecular formula C23H17ClN4O3 and a molecular weight of 432.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
PubChem CID3977043
Molecular FormulaC23H17ClN4O3
Molecular Weight432.87 g/mol
Exact Mass432.10
IUPAC Name3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nn2-c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C23H17ClN4O3/c1-15-9-11-16(12-10-15)25-23(29)22-14-21(19-7-2-3-8-20(19)24)26-27(22)17-5-4-6-18(13-17)28(30)31/h2-14H,1H3,(H,25,29)
InChIKeyLKLGCFMHAYIOLJ-UHFFFAOYSA-N
XLogP5.66
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.87
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propan-2-ylpyrazole-5-carboxamide
CID 3453937
3-(3,4-dimethylphenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3541838
3-(2-chlorophenyl)-1-(3-nitrophenyl)-N-propylpyrazole-5-carboxamide
CID 3517537
3-(2-fluorophenyl)-N-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4222475
N,3-bis(3,4-dimethylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4264270
N-(4-methylphenyl)-1-(4-nitrophenyl)-3-phenylpyrazole-5-carboxamide
CID 42758287
5-methyl-N-(4-methylphenyl)-1-(3-nitrophenyl)triazole-4-carboxamide
CID 31757635
[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42759339
3-(2-fluorophenyl)-1-(3-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4310575
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 4271520
3-(3,4-dimethylphenyl)-N-ethoxy-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3893461
N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3271382

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide (CID 3977043) is 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nn2-c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is LKLGCFMHAYIOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3/c1-15-9-11-16(12-10-15)25-23(29)22-14-21(19-7-2-3-8-20(19)24)26-27(22)17-5-4-6-18(13-17)28(30)31/h2-14H,1H3,(H,25,29).
What are the key properties of 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 432.87 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(4-methylphenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3977043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).