(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol

C13H14F2N2O — CID 82819469

IUPAC(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2c(F)ccc(C)c2F)cn1
InChIInChI=1S/C13H14F2N2O/c1-3-17-7-9(6-16-17)13(18)11-10(14)5-4-8(2)12(11)15/h4-7,13,18H,3H2,1-2H3
InChIKeyAIKUMYUPTRREJE-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.57
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol

(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol (PubChem CID 82819469) has the molecular formula C13H14F2N2O and a molecular weight of 252.26 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol
PubChem CID82819469
Molecular FormulaC13H14F2N2O
Molecular Weight252.26 g/mol
Exact Mass252.11
IUPAC Name(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol
SMILESCCn1cc(C(O)c2c(F)ccc(C)c2F)cn1
InChIInChI=1S/C13H14F2N2O/c1-3-17-7-9(6-16-17)13(18)11-10(14)5-4-8(2)12(11)15/h4-7,13,18H,3H2,1-2H3
InChIKeyAIKUMYUPTRREJE-UHFFFAOYSA-N
XLogP2.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63895655
(2,4-difluorophenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63083868
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 63895060
1-(2,6-difluoro-3-methylphenyl)-3-methylpentan-1-ol
CID 115789411
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
(2,6-difluoro-3-methylphenyl)-(6-methoxy-3-pyridinyl)methanol
CID 114937941
1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanol
CID 55061914
(2,6-difluoro-3-methylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 82819933
(5-chloro-3-iodo-1-methylpyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanol
CID 164719161

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol (CID 82819469) is (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol is CCn1cc(C(O)c2c(F)ccc(C)c2F)cn1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol?
The InChIKey is AIKUMYUPTRREJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O/c1-3-17-7-9(6-16-17)13(18)11-10(14)5-4-8(2)12(11)15/h4-7,13,18H,3H2,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol?
(2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol has a molecular weight of 252.26 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(1-ethylpyrazol-4-yl)methanol is sourced from PubChem (CID 82819469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).