1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide

C11H10N4O3 — CID 536040

IUPAC1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C11H10N4O3/c1-14-7-9(15(17)18)10(13-14)11(16)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,16)
InChIKeyXGZPHFCMHRPQHI-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.58
Rot. Bonds3

About 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide

1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide (PubChem CID 536040) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
PubChem CID536040
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C11H10N4O3/c1-14-7-9(15(17)18)10(13-14)11(16)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,16)
InChIKeyXGZPHFCMHRPQHI-UHFFFAOYSA-N
XLogP1.58
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.58
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-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264027
2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]acetic acid
CID 1204533
N-(3-chloro-2-methylphenyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263836
1-methyl-4-nitro-N-propan-2-ylpyrazole-3-carboxamide
CID 19263922
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263895
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 844632
N-(2-acetamido-1,3-benzothiazol-6-yl)-1-methyl-4-nitropyrazole-3-carboxamide
CID 5068246
1-methyl-4-nitro-N-propylpyrazole-3-carboxamide
CID 4592977
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263842
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 1223643
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263843
1-methyl-4-nitro-N-[1-(4-phenoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 75395693

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide (CID 536040) is 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide?
The InChIKey is XGZPHFCMHRPQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-14-7-9(15(17)18)10(13-14)11(16)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,16).
What are the key properties of 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide?
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide has a molecular weight of 246.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 536040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).