N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

C12H11FN4O3 — CID 1250431

IUPACN-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O3/c1-8-6-11(17(19)20)15-16(8)7-12(18)14-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,18)
InChIKeyHZKQHCIIRIJLKG-UHFFFAOYSA-N
MW278.24 g/mol
LogP1.88
Rot. Bonds4

About N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide

N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (PubChem CID 1250431) has the molecular formula C12H11FN4O3 and a molecular weight of 278.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
PubChem CID1250431
Molecular FormulaC12H11FN4O3
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC NameN-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H11FN4O3/c1-8-6-11(17(19)20)15-16(8)7-12(18)14-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,18)
InChIKeyHZKQHCIIRIJLKG-UHFFFAOYSA-N
XLogP1.88
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 51.88
H-Bond Donors ≤ 51
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

N-benzyl-N-methyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 671670
N-[(4-chlorophenyl)methyl]-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749085
N-(2,5-difluorophenyl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259154
N-benzyl-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1259173
2-(5-Methyl-3-nitro-pyrazol-1-yl)-N-(1-phenyl-ethyl)-acetamide
CID 2861112
1-(4-Benzylpiperazin-1-yl)-2-(5-methyl-3-nitropyrazol-1-yl)ethanone
CID 671632
2-(5-methyl-3-nitropyrazol-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 749090
2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide
CID 749102
N-(4-fluorophenyl)-2-({3-nitro-5-methyl-1H-pyrazol-1-yl}acetyl)hydrazinecarbothioamide
CID 999091
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 1019736
N-benzyl-2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
CID 1256430
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 1259574

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide (CID 1250431) is N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
The InChIKey is HZKQHCIIRIJLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O3/c1-8-6-11(17(19)20)15-16(8)7-12(18)14-10-4-2-9(13)3-5-10/h2-6H,7H2,1H3,(H,14,18).
What are the key properties of N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide?
N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide has a molecular weight of 278.24 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 1250431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).