(2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone

C10H6FN3O3 — CID 579427

IUPAC(2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone
SMILESO=C(c1ccccc1F)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H6FN3O3/c11-9-4-2-1-3-8(9)10(15)13-6-7(5-12-13)14(16)17/h1-6H
InChIKeyKAGZZVWHPCJTFE-UHFFFAOYSA-N
MW235.17 g/mol
LogP1.62
Rot. Bonds2

About (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone

(2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone (PubChem CID 579427) has the molecular formula C10H6FN3O3 and a molecular weight of 235.17 g/mol. Its IUPAC name is (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone
PubChem CID579427
Molecular FormulaC10H6FN3O3
Molecular Weight235.17 g/mol
Exact Mass235.04
IUPAC Name(2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone
SMILESO=C(c1ccccc1F)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H6FN3O3/c11-9-4-2-1-3-8(9)10(15)13-6-7(5-12-13)14(16)17/h1-6H
InChIKeyKAGZZVWHPCJTFE-UHFFFAOYSA-N
XLogP1.62
TPSA78.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-chloro-1H-pyrazol-1-yl)(3-nitrophenyl)methanone
CID 674632
1-[(2-methylphenyl)carbonyl]-4-nitro-1H-pyrazole
CID 674641
1-benzoyl-4-nitro-1H-pyrazole
CID 674651
4-Methylphenyl 3-nitropyrazolyl ketone
CID 699665
(3-nitro-1H-pyrazol-1-yl)(phenyl)methanone
CID 700133
N-(2-ethylphenyl)-4-({4-nitro-1H-pyrazol-1-yl}methyl)benzamide
CID 1226002
[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-[4-[(4-nitropyrazol-1-yl)methyl]phenyl]methanone
CID 4765932
N-{4-nitrophenyl}-4-({4-nitro-1H-pyrazol-1-yl}methyl)benzamide
CID 5183063
N-benzyl-4-(4-nitro-1H-pyrazol-1-yl)butanamide
CID 4916308
1-(2-Fluorobenzyl)-4-nitro-1H-pyrazole
CID 573054
N-[4-(dimethylamino)phenyl]-4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
CID 5048498
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide
CID 842454

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone (CID 579427) is (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone is O=C(c1ccccc1F)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone?
The InChIKey is KAGZZVWHPCJTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O3/c11-9-4-2-1-3-8(9)10(15)13-6-7(5-12-13)14(16)17/h1-6H.
What are the key properties of (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone?
(2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone has a molecular weight of 235.17 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(4-nitropyrazol-1-yl)methanone is sourced from PubChem (CID 579427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).