N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide

C13H12N4O3 — CID 71824219

IUPACN-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N4O3/c18-13(15-9-3-4-9)11-7-14-16-12(11)8-1-5-10(6-2-8)17(19)20/h1-2,5-7,9H,3-4H2,(H,14,16)(H,15,18)
InChIKeyKTWHASUWNAJJAB-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.88
Rot. Bonds4

About N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide

N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 71824219) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
PubChem CID71824219
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC NameN-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H12N4O3/c18-13(15-9-3-4-9)11-7-14-16-12(11)8-1-5-10(6-2-8)17(19)20/h1-2,5-7,9H,3-4H2,(H,14,16)(H,15,18)
InChIKeyKTWHASUWNAJJAB-UHFFFAOYSA-N
XLogP1.88
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.88
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

5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 24595329
N-butyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824213
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119475103
N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 60511818
N-cyclopropyl-5-(2-methylpyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 166264433
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
N-[1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824160
N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 95795239
1-methyl-3-(4-nitrophenyl)-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119386681
5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
CID 71824533
N-(1-benzylpiperidin-4-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 46341484

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide (CID 71824219) is N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide is O=C(NC1CC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KTWHASUWNAJJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c18-13(15-9-3-4-9)11-7-14-16-12(11)8-1-5-10(6-2-8)17(19)20/h1-2,5-7,9H,3-4H2,(H,14,16)(H,15,18).
What are the key properties of N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide?
N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 272.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).