(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol

C13H15FN2O — CID 79705223

IUPAC(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2cnn(C)c2C)c1
InChIInChI=1S/C13H15FN2O/c1-8-4-10(6-11(14)5-8)13(17)12-7-15-16(3)9(12)2/h4-7,13,17H,1-3H3
InChIKeyMLCUUBGQXRMYLV-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.26
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol

(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 79705223) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID79705223
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
SMILESCc1cc(F)cc(C(O)c2cnn(C)c2C)c1
InChIInChI=1S/C13H15FN2O/c1-8-4-10(6-11(14)5-8)13(17)12-7-15-16(3)9(12)2/h4-7,13,17H,1-3H3
InChIKeyMLCUUBGQXRMYLV-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methanol
CID 79584482
[(3,5-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]hydrazine
CID 105301848
(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 79584669
(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(2-fluoro-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823134
2-(1,5-dimethylpyrazol-4-yl)-2-(3-fluoro-5-methylanilino)acetamide
CID 79583974
(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
CID 81215608
(4-bromo-1-methylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643211
(4-bromo-3,5-dimethylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 114329914
(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542679
(2-chloro-5-fluorophenyl)-(3-fluoro-5-methylphenyl)methanol
CID 105394565
(2-bromo-3-methylphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 107985786

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol (CID 79705223) is (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol is Cc1cc(F)cc(C(O)c2cnn(C)c2C)c1.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is MLCUUBGQXRMYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8-4-10(6-11(14)5-8)13(17)12-7-15-16(3)9(12)2/h4-7,13,17H,1-3H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol?
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol has a molecular weight of 234.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 79705223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).