(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone

C13H13FN2O — CID 114972492

IUPAC(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCCn1nccc1C(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H13FN2O/c1-3-16-12(6-7-15-16)13(17)10-8-9(2)4-5-11(10)14/h4-8H,3H2,1-2H3
InChIKeyZUAGVZXQAWEADB-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.58
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone

(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 114972492) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID114972492
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCCn1nccc1C(=O)c1cc(C)ccc1F
InChIInChI=1S/C13H13FN2O/c1-3-16-12(6-7-15-16)13(17)10-8-9(2)4-5-11(10)14/h4-8H,3H2,1-2H3
InChIKeyZUAGVZXQAWEADB-UHFFFAOYSA-N
XLogP2.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972434
(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(4-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 63976130
(2-amino-4-chlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 64914209
(2-bromo-5-methylphenyl)-(2-propylpyrazol-3-yl)methanone
CID 114972270
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
(2-ethylpyrazol-3-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877629
(3,5-dichlorophenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972423
(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 102802735
(2-ethylpyrazol-3-yl)-(5-methylfuran-3-yl)methanone
CID 114972432
(3-bromo-2-methylphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972479
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone (CID 114972492) is (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone is CCn1nccc1C(=O)c1cc(C)ccc1F.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is ZUAGVZXQAWEADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-3-16-12(6-7-15-16)13(17)10-8-9(2)4-5-11(10)14/h4-8H,3H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone?
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 232.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 114972492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).