4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide

C12H11ClN4O3 — CID 19263590

IUPAC4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11ClN4O3/c1-7-3-4-9(10(5-7)17(19)20)14-12(18)11-8(13)6-16(2)15-11/h3-6H,1-2H3,(H,14,18)
InChIKeyWBQBTCSFSYXTDA-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.54
Rot. Bonds3

About 4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide

4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 19263590) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
PubChem CID19263590
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC Name4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)cc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H11ClN4O3/c1-7-3-4-9(10(5-7)17(19)20)14-12(18)11-8(13)6-16(2)15-11/h3-6H,1-2H3,(H,14,18)
InChIKeyWBQBTCSFSYXTDA-UHFFFAOYSA-N
XLogP2.54
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.54
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-bromo-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19262728
4-chloro-N-(4-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 81227319
N-(3-chloro-2-methylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263836
1-(4-chlorophenyl)-5-methyl-N-(4-methyl-2-nitrophenyl)triazole-4-carboxamide
CID 16651356
4-chloro-1-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]pyrazole-3-carboxamide
CID 19263666
5-bromo-2-chloro-N-(4-methyl-2-nitrophenyl)benzamide
CID 2886785
4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263279
4-chloro-1-methyl-N-(5-nitro-2-pyridinyl)pyrazole-3-carboxamide
CID 3590606
2-[5-[(4-methyl-2-nitrophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19482380
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481247
3-bromo-N-(4-methyl-2-nitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19462088

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide (CID 19263590) is 4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2nn(C)cc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is WBQBTCSFSYXTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-7-3-4-9(10(5-7)17(19)20)14-12(18)11-8(13)6-16(2)15-11/h3-6H,1-2H3,(H,14,18).
What are the key properties of 4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide?
4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 294.70 g/mol, XLogP of 2.54, 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-methyl-2-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19263590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).