(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone

C13H13FN2O — CID 105079847

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone
SMILESCCn1nc(C)cc1C(=O)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O/c1-3-16-12(7-9(2)15-16)13(17)10-5-4-6-11(14)8-10/h4-8H,3H2,1-2H3
InChIKeyWUXCFSLXJNRIHP-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.58
Rot. Bonds3

About (2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone

(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone (PubChem CID 105079847) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone
PubChem CID105079847
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone
SMILESCCn1nc(C)cc1C(=O)c1cccc(F)c1
InChIInChI=1S/C13H13FN2O/c1-3-16-12(7-9(2)15-16)13(17)10-5-4-6-11(14)8-10/h4-8H,3H2,1-2H3
InChIKeyWUXCFSLXJNRIHP-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

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CID 130758203
(2-ethyl-5-methylpyrazol-3-yl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 105132100
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79441236
(3-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 112694154
(3-bromofuran-2-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 105101696
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
N-[(2S)-butan-2-yl]-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 93014221
3-chloro-N-(2-ethyl-5-methylpyrazol-3-yl)benzamide
CID 45284642
ethyl (Z)-2-[(2,6-difluorophenyl)diazenyl]-3-(2-ethyl-5-methylpyrazol-3-yl)-3-hydroxyprop-2-enoate
CID 137228627
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbut-2-en-1-one
CID 105112858
cyclohexen-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 106656109

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone (CID 105079847) is (2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone is CCn1nc(C)cc1C(=O)c1cccc(F)c1.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone?
The InChIKey is WUXCFSLXJNRIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-3-16-12(7-9(2)15-16)13(17)10-5-4-6-11(14)8-10/h4-8H,3H2,1-2H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone?
(2-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)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-ethyl-5-methylpyrazol-3-yl)-(3-fluorophenyl)methanone is sourced from PubChem (CID 105079847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).