(4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol

C13H15FN2O2 — CID 114255619

IUPAC(4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol
SMILESCOc1cc(C(O)c2ccc(F)c(C)c2)nn1C
InChIInChI=1S/C13H15FN2O2/c1-8-6-9(4-5-10(8)14)13(17)11-7-12(18-3)16(2)15-11/h4-7,13,17H,1-3H3
InChIKeyVBUHBYGKQBSARE-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.96
Rot. Bonds3

About (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol

(4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol (PubChem CID 114255619) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol
PubChem CID114255619
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name(4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol
SMILESCOc1cc(C(O)c2ccc(F)c(C)c2)nn1C
InChIInChI=1S/C13H15FN2O2/c1-8-6-9(4-5-10(8)14)13(17)11-7-12(18-3)16(2)15-11/h4-7,13,17H,1-3H3
InChIKeyVBUHBYGKQBSARE-UHFFFAOYSA-N
XLogP1.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethyl-1-methylpyrazol-5-yl)-(4-fluoro-3-methylphenyl)methanol
CID 105094043
(4-fluoro-3-methylphenyl)-(2-methoxyphenyl)methanol
CID 60929843
1-(4-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)-N-methylmethanamine
CID 114255322
(4-fluoro-3-methylphenyl)-(thiadiazol-4-yl)methanol
CID 105094034
(2-fluoro-6-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 79747390
(4-fluoro-3-methylphenyl)methanediol
CID 45090626
(4-fluoro-3-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62789628
(2,4-dimethoxyphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 62802132
(3,5-dichlorophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 63899311
(S)-(4-fluoro-3-methylphenyl)-(furan-3-yl)methanol
CID 95252370
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(3,5-dibromophenyl)-(4-fluoro-3-methylphenyl)methanol
CID 107978317

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol?
The IUPAC name of (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol (CID 114255619) is (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol is COc1cc(C(O)c2ccc(F)c(C)c2)nn1C.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol?
The InChIKey is VBUHBYGKQBSARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-8-6-9(4-5-10(8)14)13(17)11-7-12(18-3)16(2)15-11/h4-7,13,17H,1-3H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol?
(4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol has a molecular weight of 250.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 114255619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).