N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide

C10H7FN4O3 — CID 61260209

IUPACN-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cn[nH]c1
InChIInChI=1S/C10H7FN4O3/c11-7-1-2-8(9(3-7)15(17)18)14-10(16)6-4-12-13-5-6/h1-5H,(H,12,13)(H,14,16)
InChIKeyPKIYWFHCJSHSLD-UHFFFAOYSA-N
MW250.19 g/mol
LogP1.71
Rot. Bonds3

About N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide

N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 61260209) has the molecular formula C10H7FN4O3 and a molecular weight of 250.19 g/mol. Its IUPAC name is N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide
PubChem CID61260209
Molecular FormulaC10H7FN4O3
Molecular Weight250.19 g/mol
Exact Mass250.05
IUPAC NameN-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cn[nH]c1
InChIInChI=1S/C10H7FN4O3/c11-7-1-2-8(9(3-7)15(17)18)14-10(16)6-4-12-13-5-6/h1-5H,(H,12,13)(H,14,16)
InChIKeyPKIYWFHCJSHSLD-UHFFFAOYSA-N
XLogP1.71
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 51.71
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-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61259784
3-nitro-4-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 60846126
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
4-(chloromethyl)-N-(4-fluoro-2-nitrophenyl)benzamide
CID 43346653
5-fluoro-2-nitro-N-(1H-pyrazol-4-yl)benzamide
CID 60877332
(4-fluoro-2-nitrophenyl)urea
CID 69476086
2-amino-N-(4-fluoro-2-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62787167
N-(4-bromo-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532914
4-(3-chloro-2-pyridinyl)-N-(4-fluoro-2-nitrophenyl)benzamide
CID 11485559
4-(4-fluoroanilino)-N-(4-fluorophenyl)-3-nitrobenzamide
CID 91590330
(2-iodophenyl) N-(4-fluoro-2-nitrophenyl)carbamate
CID 134086446
N-(2,3-dimethyl-4-nitrophenyl)-4-fluorobenzamide
CID 2938533

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide (CID 61260209) is N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(F)cc1[N+](=O)[O-])c1cn[nH]c1.
What is the InChIKey of N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is PKIYWFHCJSHSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O3/c11-7-1-2-8(9(3-7)15(17)18)14-10(16)6-4-12-13-5-6/h1-5H,(H,12,13)(H,14,16).
What are the key properties of N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide?
N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 250.19 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61260209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).