4-nitro-1H-pyrazole-5-carboxamide

C4H4N4O3 — CID 541972

IUPAC4-nitro-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C4H4N4O3/c5-4(9)3-2(8(10)11)1-6-7-3/h1H,(H2,5,9)(H,6,7)
InChIKeySVHOGXCJBBYKOT-UHFFFAOYSA-N
MW156.10 g/mol
LogP-0.58
Rot. Bonds2

About 4-nitro-1H-pyrazole-5-carboxamide

4-nitro-1H-pyrazole-5-carboxamide (PubChem CID 541972) has the molecular formula C4H4N4O3 and a molecular weight of 156.10 g/mol. Its IUPAC name is 4-nitro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-nitro-1H-pyrazole-5-carboxamide
PubChem CID541972
Molecular FormulaC4H4N4O3
Molecular Weight156.10 g/mol
Exact Mass156.03
IUPAC Name4-nitro-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C4H4N4O3/c5-4(9)3-2(8(10)11)1-6-7-3/h1H,(H2,5,9)(H,6,7)
InChIKeySVHOGXCJBBYKOT-UHFFFAOYSA-N
XLogP-0.58
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-amino-1H-pyrazole-5-carboxamide
CID 580973
4-((1E)-3,3-Dimethyltriaz-1-en-1-yl)-1H-pyrazole-3-carboxamide
CID 279946
1-(4-Nitro-1H-pyrazol-5-yl)ethanone
CID 68027969
1-Methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 1255557
Pyrazolotriazinol
CID 136315612
N-(3-methylbutyl)-4-nitro-1H-pyrazole-5-carboxamide
CID 587854
N-[(4-nitro-1H-pyrazol-3-yl)carbonyl]glycine
CID 1237196
N-butyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1719414
4-Nitro-1H-pyrazole-3-carbohydrazide
CID 3975605
N-Methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 1255769
1-methyl-4-nitro-1H-pyrazole-5-carboxamide
CID 1878729
5-carbamoyl-1H-pyrazole-4-diazonium
CID 12707464

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-nitro-1H-pyrazole-5-carboxamide (CID 541972) is 4-nitro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-nitro-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-nitro-1H-pyrazole-5-carboxamide is NC(=O)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 4-nitro-1H-pyrazole-5-carboxamide?
The InChIKey is SVHOGXCJBBYKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O3/c5-4(9)3-2(8(10)11)1-6-7-3/h1H,(H2,5,9)(H,6,7).
What are the key properties of 4-nitro-1H-pyrazole-5-carboxamide?
4-nitro-1H-pyrazole-5-carboxamide has a molecular weight of 156.10 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 541972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).