(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol

C12H13FN2O2 — CID 114554138

IUPAC(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCOc1ccc(F)cc1C(O)c1ccnn1C
InChIInChI=1S/C12H13FN2O2/c1-15-10(5-6-14-15)12(16)9-7-8(13)3-4-11(9)17-2/h3-7,12,16H,1-2H3
InChIKeyQHEOVSTUPLKCID-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.65
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol

(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 114554138) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID114554138
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCOc1ccc(F)cc1C(O)c1ccnn1C
InChIInChI=1S/C12H13FN2O2/c1-15-10(5-6-14-15)12(16)9-7-8(13)3-4-11(9)17-2/h3-7,12,16H,1-2H3
InChIKeyQHEOVSTUPLKCID-UHFFFAOYSA-N
XLogP1.65
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105
(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63961353
(5-fluoro-2-methoxyphenyl)-(3-propylimidazol-4-yl)methanol
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(2-methoxy-3-pyridinyl)-(2-methylpyrazol-3-yl)methanol
CID 105098313
(5-fluoro-2-methoxyphenyl)-(1H-pyrazol-5-yl)methanol
CID 114988826
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(5-fluoro-2-methoxyphenyl)-(5-methyl-2-pyridinyl)methanol
CID 82770681
(5-bromofuran-2-yl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087633
(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 115799135
(2-methylpyrazol-3-yl)-(2-propoxyphenyl)methanol
CID 114554144
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol (CID 114554138) is (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol is COc1ccc(F)cc1C(O)c1ccnn1C.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is QHEOVSTUPLKCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-15-10(5-6-14-15)12(16)9-7-8(13)3-4-11(9)17-2/h3-7,12,16H,1-2H3.
What are the key properties of (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 236.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 114554138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).