(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol

C17H15FN2O — CID 63210077

IUPAC(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESCc1cc(C(O)c2cnn(-c3ccccc3)c2)ccc1F
InChIInChI=1S/C17H15FN2O/c1-12-9-13(7-8-16(12)18)17(21)14-10-19-20(11-14)15-5-3-2-4-6-15/h2-11,17,21H,1H3
InChIKeyJWWKXWXIFLTNHN-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.40
Rot. Bonds3

About (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol

(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol (PubChem CID 63210077) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
PubChem CID63210077
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol
SMILESCc1cc(C(O)c2cnn(-c3ccccc3)c2)ccc1F
InChIInChI=1S/C17H15FN2O/c1-12-9-13(7-8-16(12)18)17(21)14-10-19-20(11-14)15-5-3-2-4-6-15/h2-11,17,21H,1H3
InChIKeyJWWKXWXIFLTNHN-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 107991164
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
(3,5-dichlorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088968
(3-methoxyphenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088954
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
(5-bromo-4-methylthiophen-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79996999
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(2-bromo-3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 81499833
4-[bromo-(5-chloro-2-methylphenyl)methyl]-1-phenylpyrazole
CID 82875056
(5-ethylfuran-2-yl)-(1-phenylpyrazol-4-yl)methanol
CID 79096206
(S)-(4-fluoro-3-methylphenyl)-(furan-3-yl)methanol
CID 95252370
4-[bromo-(2-fluorophenyl)methyl]-1-phenylpyrazole
CID 61096147

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol?
The IUPAC name of (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol (CID 63210077) is (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol?
The canonical SMILES for (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol is Cc1cc(C(O)c2cnn(-c3ccccc3)c2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol?
The InChIKey is JWWKXWXIFLTNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-12-9-13(7-8-16(12)18)17(21)14-10-19-20(11-14)15-5-3-2-4-6-15/h2-11,17,21H,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol?
(4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol has a molecular weight of 282.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-(1-phenylpyrazol-4-yl)methanol is sourced from PubChem (CID 63210077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).