(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol

C14H17FN2O2 — CID 105121006

IUPAC(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2c(C)nn(C)c2C)c1F
InChIInChI=1S/C14H17FN2O2/c1-8-12(9(2)17(3)16-8)14(18)10-6-5-7-11(19-4)13(10)15/h5-7,14,18H,1-4H3
InChIKeyWWKWTXGKFPQGBE-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.27
Rot. Bonds3

About (2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol

(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol (PubChem CID 105121006) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is (2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
PubChem CID105121006
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
SMILESCOc1cccc(C(O)c2c(C)nn(C)c2C)c1F
InChIInChI=1S/C14H17FN2O2/c1-8-12(9(2)17(3)16-8)14(18)10-6-5-7-11(19-4)13(10)15/h5-7,14,18H,1-4H3
InChIKeyWWKWTXGKFPQGBE-UHFFFAOYSA-N
XLogP2.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-2-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 106648347
N-[(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 105174720
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82792485
(2-ethoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105095910
(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol
CID 95559607
(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(2,3-dimethylphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82806744
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
(3-fluorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105078402
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol
CID 112735964

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The IUPAC name of (2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol (CID 105121006) is (2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol.
What is the SMILES notation for (2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The canonical SMILES for (2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol is COc1cccc(C(O)c2c(C)nn(C)c2C)c1F.
What is the InChIKey of (2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
The InChIKey is WWKWTXGKFPQGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-8-12(9(2)17(3)16-8)14(18)10-6-5-7-11(19-4)13(10)15/h5-7,14,18H,1-4H3.
What are the key properties of (2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol?
(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol has a molecular weight of 264.30 g/mol, XLogP of 2.27, 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)-(1,3,5-trimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 105121006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).