(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone

C13H13FN2O — CID 102802735

IUPAC(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C13H13FN2O/c1-8-4-5-12(14)10(6-8)13(17)11-7-16(3)15-9(11)2/h4-7H,1-3H3
InChIKeyHVLFKWFUCMCYEE-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.41
Rot. Bonds2

About (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone

(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 102802735) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID102802735
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cn(C)nc2C)c1
InChIInChI=1S/C13H13FN2O/c1-8-4-5-12(14)10(6-8)13(17)11-7-16(3)15-9(11)2/h4-7H,1-3H3
InChIKeyHVLFKWFUCMCYEE-UHFFFAOYSA-N
XLogP2.41
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802768
(1,5-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 105096035
(3,5-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802657
(2,5-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337442
(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 102802743
(2-ethylpyrazol-3-yl)-(2-fluoro-5-methylphenyl)methanone
CID 114972492
(3,4-dimethylphenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802720
2-(1,3-dimethylpyrazol-4-yl)-5-methylbenzamide;ethane
CID 176976548
(2-chloro-4,5-difluorophenyl)-(2-fluoro-5-methylphenyl)methanone
CID 107475658
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(1,3-dimethylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methanone
CID 102802866
2-fluoro-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882306

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone (CID 102802735) is (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)c2cn(C)nc2C)c1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is HVLFKWFUCMCYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8-4-5-12(14)10(6-8)13(17)11-7-16(3)15-9(11)2/h4-7H,1-3H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone?
(1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 232.26 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 102802735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).