N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide

C7H8N4O3 — CID 135803048

IUPACN-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C7H8N4O3/c12-7(8-4-1-2-4)5-3-6(10-9-5)11(13)14/h3-4H,1-2H2,(H,8,12)(H,9,10)
InChIKeyMNHPJHAPISGYNA-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.21
Rot. Bonds3

About N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide

N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide (PubChem CID 135803048) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide
PubChem CID135803048
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC NameN-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CC1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C7H8N4O3/c12-7(8-4-1-2-4)5-3-6(10-9-5)11(13)14/h3-4H,1-2H2,(H,8,12)(H,9,10)
InChIKeyMNHPJHAPISGYNA-UHFFFAOYSA-N
XLogP0.21
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.21
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

N-cycloheptyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135803037
5-nitro-1H-pyrazole-3-carboxylic acid
CID 86222684
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
N-cyclopropyl-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 166264435
5-tert-butyl-N-cyclopentyl-1H-pyrazole-3-carboxamide
CID 110848665
N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601
3-(cyclopropylcarbamoyl)-5-nitrobenzoic acid
CID 69078594
3-bromo-N-cyclopropyl-5-nitrobenzamide
CID 26369865
N-cyclooctyl-3,5-dinitrobenzamide
CID 4130171
1-N,3-N-dicyclopentyl-5-nitrobenzene-1,3-dicarboxamide
CID 4058305
1-(5-nitro-1H-pyrazole-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 137147075

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide (CID 135803048) is N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide is O=C(NC1CC1)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is MNHPJHAPISGYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c12-7(8-4-1-2-4)5-3-6(10-9-5)11(13)14/h3-4H,1-2H2,(H,8,12)(H,9,10).
What are the key properties of N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide?
N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 196.17 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135803048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).