(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone

C13H12F2N2O — CID 105100921

IUPAC(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)c2c(F)cccc2F)n(C)n1
InChIInChI=1S/C13H12F2N2O/c1-3-8-7-11(17(2)16-8)13(18)12-9(14)5-4-6-10(12)15/h4-7H,3H2,1-2H3
InChIKeyKFGBOUZVDXRYDZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.49
Rot. Bonds3

About (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone

(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone (PubChem CID 105100921) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
PubChem CID105100921
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone
SMILESCCc1cc(C(=O)c2c(F)cccc2F)n(C)n1
InChIInChI=1S/C13H12F2N2O/c1-3-8-7-11(17(2)16-8)13(18)12-9(14)5-4-6-10(12)15/h4-7H,3H2,1-2H3
InChIKeyKFGBOUZVDXRYDZ-UHFFFAOYSA-N
XLogP2.49
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291305
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
(3-ethyl-1-methylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methanone
CID 103133864
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
N-(2-aminophenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119915
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
(3-ethyl-1-methylpyrazol-5-yl)-pyrimidin-5-ylmethanone
CID 105085414
(2,6-difluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 113222399
(3-ethyl-1-methylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methanone
CID 105098784
2-(3-chloro-4-fluorophenyl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 103042823
N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 81315071
(3-ethyl-1-methylpyrazol-5-yl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 105128341

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone (CID 105100921) is (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone is CCc1cc(C(=O)c2c(F)cccc2F)n(C)n1.
What is the InChIKey of (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
The InChIKey is KFGBOUZVDXRYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-3-8-7-11(17(2)16-8)13(18)12-9(14)5-4-6-10(12)15/h4-7H,3H2,1-2H3.
What are the key properties of (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone?
(2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone has a molecular weight of 250.25 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-(3-ethyl-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 105100921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).