4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide

C11H9ClN4O3 — CID 19475780

IUPAC4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9ClN4O3/c1-15-10(9(12)6-13-15)11(17)14-7-2-4-8(5-3-7)16(18)19/h2-6H,1H3,(H,14,17)
InChIKeyWZHSJOCKYOVKGW-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.23
Rot. Bonds3

About 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide

4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 19475780) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
PubChem CID19475780
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC Name4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9ClN4O3/c1-15-10(9(12)6-13-15)11(17)14-7-2-4-8(5-3-7)16(18)19/h2-6H,1H3,(H,14,17)
InChIKeyWZHSJOCKYOVKGW-UHFFFAOYSA-N
XLogP2.23
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.23
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'}

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Related Compounds

4-chloro-N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19476028
4-chloro-1-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]pyrazole-5-carboxamide
CID 19475871
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
CID 131940972
ethyl 4-[(4-chloro-1-methylpyrazole-5-carbonyl)amino]benzoate
CID 973643
4-chloro-1-methyl-N-[(3-nitrophenyl)methylideneamino]pyrazole-5-carboxamide
CID 831864
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478340
1-methyl-4-[(4-nitrobenzoyl)amino]pyrazole-5-carboxylic acid
CID 19406253
4-chloro-N-(3-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 6467156
methyl 4-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]benzoate
CID 748650
[2-[(E)-[(4-chloro-1-methylpyrazole-5-carbonyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 6874154
4-chloro-N-(2-hydroxyphenyl)-1-methylpyrazole-5-carboxamide
CID 19475778

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide (CID 19475780) is 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is WZHSJOCKYOVKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-15-10(9(12)6-13-15)11(17)14-7-2-4-8(5-3-7)16(18)19/h2-6H,1H3,(H,14,17).
What are the key properties of 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide?
4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 280.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(4-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19475780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).