5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide

C9H8N6O3 — CID 44588650

IUPAC5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccncc2[N+](=O)[O-])c1N
InChIInChI=1S/C9H8N6O3/c10-8-5(9(11)16)3-13-14(8)6-1-2-12-4-7(6)15(17)18/h1-4H,10H2,(H2,11,16)
InChIKeyVLIAHZRSBOUGJO-UHFFFAOYSA-N
MW248.20 g/mol
LogP-0.14
Rot. Bonds3

About 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide

5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide (PubChem CID 44588650) has the molecular formula C9H8N6O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide
PubChem CID44588650
Molecular FormulaC9H8N6O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2ccncc2[N+](=O)[O-])c1N
InChIInChI=1S/C9H8N6O3/c10-8-5(9(11)16)3-13-14(8)6-1-2-12-4-7(6)15(17)18/h1-4H,10H2,(H2,11,16)
InChIKeyVLIAHZRSBOUGJO-UHFFFAOYSA-N
XLogP-0.14
TPSA142.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
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

3-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(5-methylpyridin-2-yl)propanamide
CID 843498
N-(4-methylpyridin-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
CID 1504355
5-amino-1-phenyl-N'-(3-pyridinylmethylene)-1H-pyrazole-4-carbohydrazide
CID 6877166
2-{4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}-N-(3-methyl-2-pyridinyl)acetamide
CID 742456
N-(4-methylpyridin-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4773735
6-(2-methylbutyl)-1-(4-methyl-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136035133
5-Amino-1-(2-pyridinyl)-1H-pyrazole-4-carboxamide
CID 12151702
2-(5-methyl-3,4-dinitropyrazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 2857477
2-(4-nitro-1H-pyrazol-1-yl)-N-2-pyridinylacetamide
CID 2979883
5-amino-1-(2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 12150564
N-methyl-4-nitro-1-(2-pyridinyl)-1H-pyrazol-5-amine
CID 3822801
Ethyl 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxylate
CID 44588651

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide (CID 44588650) is 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2ccncc2[N+](=O)[O-])c1N.
What is the InChIKey of 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is VLIAHZRSBOUGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O3/c10-8-5(9(11)16)3-13-14(8)6-1-2-12-4-7(6)15(17)18/h1-4H,10H2,(H2,11,16).
What are the key properties of 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide?
5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 248.20 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3-nitro-4-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 44588650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).