1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol

C13H15FN2O2 — CID 81304810

IUPAC1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCOc1ccc(C(O)Cc2cnn(C)c2)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-16-8-9(7-15-16)5-13(17)11-4-3-10(18-2)6-12(11)14/h3-4,6-8,13,17H,5H2,1-2H3
InChIKeyDDVBBNYPFHIYTO-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.84
Rot. Bonds4

About 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol

1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol (PubChem CID 81304810) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
PubChem CID81304810
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
SMILESCOc1ccc(C(O)Cc2cnn(C)c2)c(F)c1
InChIInChI=1S/C13H15FN2O2/c1-16-8-9(7-15-16)5-13(17)11-4-3-10(18-2)6-12(11)14/h3-4,6-8,13,17H,5H2,1-2H3
InChIKeyDDVBBNYPFHIYTO-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 81305139
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
1-(4-chloro-2,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780481
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011751
2-(3,4-dichlorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 63047363
1-(2-bromo-4-fluorophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 115780374
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
1-(2,4-dibromophenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 107947322
1-(2,4-difluorophenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 63086432
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 81299680
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
2-(1-methylpyrazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115780286

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol (CID 81304810) is 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol is COc1ccc(C(O)Cc2cnn(C)c2)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol?
The InChIKey is DDVBBNYPFHIYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-16-8-9(7-15-16)5-13(17)11-4-3-10(18-2)6-12(11)14/h3-4,6-8,13,17H,5H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol?
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol has a molecular weight of 250.27 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol is sourced from PubChem (CID 81304810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).