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

C12H13FN2O2 — CID 114554105

IUPAC(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCOc1cccc(C(O)c2ccnn2C)c1F
InChIInChI=1S/C12H13FN2O2/c1-15-9(6-7-14-15)12(16)8-4-3-5-10(17-2)11(8)13/h3-7,12,16H,1-2H3
InChIKeyUNLSOHVMGKICTC-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.65
Rot. Bonds3

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

(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 114554105) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID114554105
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCOc1cccc(C(O)c2ccnn2C)c1F
InChIInChI=1S/C12H13FN2O2/c1-15-9(6-7-14-15)12(16)8-4-3-5-10(17-2)11(8)13/h3-7,12,16H,1-2H3
InChIKeyUNLSOHVMGKICTC-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

(2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 63961353
(5-fluoro-2-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554138
2-(2-fluoro-3-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 114554076
(2-chloro-3-fluorophenyl)-(2-methylpyrazol-3-yl)methanol
CID 115799135
(2-methoxy-3-pyridinyl)-(2-methylpyrazol-3-yl)methanol
CID 105098313
(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol
CID 112735964
(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105121006
(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol
CID 114282584
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2-methylpyrazol-3-yl)-(2-propoxyphenyl)methanol
CID 114554144
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol (CID 114554105) is (2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol is COc1cccc(C(O)c2ccnn2C)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is UNLSOHVMGKICTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-15-9(6-7-14-15)12(16)8-4-3-5-10(17-2)11(8)13/h3-7,12,16H,1-2H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol?
(2-fluoro-3-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 (2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 114554105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).