1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide

C9H9N5O3 — CID 61393253

IUPAC1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H9N5O3/c1-13-5-6(14(16)17)4-7(13)9(15)11-8-2-3-10-12-8/h2-5H,1H3,(H2,10,11,12,15)
InChIKeySASXSAIPPYPQPM-UHFFFAOYSA-N
MW235.20 g/mol
LogP0.91
Rot. Bonds3

About 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide

1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide (PubChem CID 61393253) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
PubChem CID61393253
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H9N5O3/c1-13-5-6(14(16)17)4-7(13)9(15)11-8-2-3-10-12-8/h2-5H,1H3,(H2,10,11,12,15)
InChIKeySASXSAIPPYPQPM-UHFFFAOYSA-N
XLogP0.91
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 50.91
H-Bond Donors ≤ 52
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-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 115683304
N-(2-fluoro-4-methylphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 18102003
2-fluoro-3-methyl-5-nitro-N-(1H-pyrazol-5-yl)benzamide
CID 107261878
N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 60699295
N-(1H-benzimidazol-2-yl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 60698274
1-methyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide
CID 54883343
methyl 1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 59440204
1-(4-chlorophenyl)-3-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]thiourea
CID 118706626
1-methyl-3-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 170951861
4-amino-3-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]benzoic acid
CID 22096757
1-methyl-N-(3-methylsulfanylphenyl)-4-nitropyrrole-2-carboxamide
CID 18102066
1-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-3-phenylurea
CID 118706462

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide (CID 61393253) is 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide is Cn1cc([N+](=O)[O-])cc1C(=O)Nc1ccn[nH]1.
What is the InChIKey of 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is SASXSAIPPYPQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-13-5-6(14(16)17)4-7(13)9(15)11-8-2-3-10-12-8/h2-5H,1H3,(H2,10,11,12,15).
What are the key properties of 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide?
1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 235.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 61393253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).