1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide

C11H9N5O5 — CID 19478431

IUPAC1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
SMILESCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N5O5/c1-14-10(9(6-12-14)16(20)21)11(17)13-7-4-2-3-5-8(7)15(18)19/h2-6H,1H3,(H,13,17)
InChIKeyXPQARBGWUUOGFR-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.49
Rot. Bonds4

About 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide

1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide (PubChem CID 19478431) has the molecular formula C11H9N5O5 and a molecular weight of 291.22 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
PubChem CID19478431
Molecular FormulaC11H9N5O5
Molecular Weight291.22 g/mol
Exact Mass291.06
IUPAC Name1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide
SMILESCn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H9N5O5/c1-14-10(9(6-12-14)16(20)21)11(17)13-7-4-2-3-5-8(7)15(18)19/h2-6H,1H3,(H,13,17)
InChIKeyXPQARBGWUUOGFR-UHFFFAOYSA-N
XLogP1.49
TPSA133.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(2-cyano-4-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478539
1-methyl-N-(1-methylbenzimidazol-2-yl)-4-nitropyrazole-5-carboxamide
CID 19580199
1-methyl-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-nitropyrazole-5-carboxamide
CID 19579467
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19411125
N-benzyl-1-methyl-4-nitropyrazole-5-carboxamide
CID 747520
N-(4-ethylphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478340
N-(5-ethylsulfonyl-2-hydroxyphenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478569
N,N,1-trimethyl-4-(2-nitroanilino)pyrazole-5-carboxamide
CID 20550014
methyl 4-[(1-methyl-4-nitropyrazole-5-carbonyl)amino]benzoate
CID 748650
1,5-dimethyl-4-nitro-N-(2-nitrophenyl)pyrazole-3-carboxamide
CID 19266528
N-[4-(difluoromethoxy)-2-methylphenyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478445

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide (CID 19478431) is 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide is Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide?
The InChIKey is XPQARBGWUUOGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O5/c1-14-10(9(6-12-14)16(20)21)11(17)13-7-4-2-3-5-8(7)15(18)19/h2-6H,1H3,(H,13,17).
What are the key properties of 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide?
1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide has a molecular weight of 291.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(2-nitrophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19478431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).