(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone

C13H13FN2O — CID 62387419

IUPAC(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCCn1cc(C(=O)c2cc(F)ccc2C)cn1
InChIInChI=1S/C13H13FN2O/c1-3-16-8-10(7-15-16)13(17)12-6-11(14)5-4-9(12)2/h4-8H,3H2,1-2H3
InChIKeyPLUXLGHDOGBVQH-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.58
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone

(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 62387419) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID62387419
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone
SMILESCCn1cc(C(=O)c2cc(F)ccc2C)cn1
InChIInChI=1S/C13H13FN2O/c1-3-16-8-10(7-15-16)13(17)12-6-11(14)5-4-9(12)2/h4-8H,3H2,1-2H3
InChIKeyPLUXLGHDOGBVQH-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

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Related Compounds

(4-fluoro-2-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 81274285
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
(2-chloro-4-methylphenyl)-(1-ethylpyrazol-4-yl)methanone
CID 106864825
(2,4-dibromophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 107944306
(4-bromo-3-fluorophenyl)-(1-ethylpyrazol-4-yl)methanone
CID 114964489
2-[5-(1-ethylpyrazole-4-carbonyl)-3-fluoropyrazol-1-yl]-5-fluorobenzaldehyde
CID 164719076
(1-ethylpyrazol-4-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 114964370
(2,4-difluoro-5-methylphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963861
(1-ethylpyrazol-4-yl)-(2-methylquinolin-4-yl)methanone
CID 105083333
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522
(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 114964376
(1-ethylpyrazol-4-yl)-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 91646425

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone (CID 62387419) is (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone is CCn1cc(C(=O)c2cc(F)ccc2C)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is PLUXLGHDOGBVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-3-16-8-10(7-15-16)13(17)12-6-11(14)5-4-9(12)2/h4-8H,3H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone?
(1-ethylpyrazol-4-yl)-(5-fluoro-2-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 (1-ethylpyrazol-4-yl)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 62387419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).