N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide

C12H11ClN4O3 — CID 19481247

IUPACN-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1
InChIInChI=1S/C12H11ClN4O3/c1-7-5-11(16(2)15-7)12(18)14-9-4-3-8(13)6-10(9)17(19)20/h3-6H,1-2H3,(H,14,18)
InChIKeyBFDDRQRSCFAHRK-UHFFFAOYSA-N
MW294.70 g/mol
LogP2.54
Rot. Bonds3

About N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide

N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 19481247) has the molecular formula C12H11ClN4O3 and a molecular weight of 294.70 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID19481247
Molecular FormulaC12H11ClN4O3
Molecular Weight294.70 g/mol
Exact Mass294.05
IUPAC NameN-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1
InChIInChI=1S/C12H11ClN4O3/c1-7-5-11(16(2)15-7)12(18)14-9-4-3-8(13)6-10(9)17(19)20/h3-6H,1-2H3,(H,14,18)
InChIKeyBFDDRQRSCFAHRK-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

N-(4-chloro-2-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478348
N-(4-chloro-2-nitrophenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270474
N-(4-chloro-2-nitrophenyl)-5-methyl-2-nitrobenzamide
CID 134120931
4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
7-[chloro(difluoro)methyl]-N-(4-chloro-2-nitrophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19457988
N-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522139
N-(2,4-difluorophenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685919
N-(4-chloro-2-nitrophenyl)-3-fluoropyridine-4-carboxamide
CID 105066534
2,5-dimethyl-N-(3-nitrophenyl)pyrazole-3-carboxamide
CID 16953136
4-chloro-1-methyl-N-(4-methyl-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263590
N-(4-chloro-2-nitrophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804190
3-(4-bromo-3-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
CID 19561988

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 19481247) is N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BFDDRQRSCFAHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O3/c1-7-5-11(16(2)15-7)12(18)14-9-4-3-8(13)6-10(9)17(19)20/h3-6H,1-2H3,(H,14,18).
What are the key properties of N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-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 N-(4-chloro-2-nitrophenyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19481247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).