(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol

C13H13F3N2O — CID 79584669

IUPAC(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCc1c(C(O)c2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C13H13F3N2O/c1-8-11(7-17-18(8)2)12(19)9-3-5-10(6-4-9)13(14,15)16/h3-7,12,19H,1-2H3
InChIKeyXYHNEISFTHILSG-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.83
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol

(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 79584669) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
PubChem CID79584669
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
SMILESCc1c(C(O)c2ccc(C(F)(F)F)cc2)cnn1C
InChIInChI=1S/C13H13F3N2O/c1-8-11(7-17-18(8)2)12(19)9-3-5-10(6-4-9)13(14,15)16/h3-7,12,19H,1-2H3
InChIKeyXYHNEISFTHILSG-UHFFFAOYSA-N
XLogP2.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.83
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
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-5-methylphenyl)methanol
CID 79705223
(2,3-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63895822
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 102751290
(1,5-dimethylpyrazol-4-yl)-(2-methylquinolin-6-yl)methanol
CID 81215608
(5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 65362208
(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 65362027
[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301348
(1,5-dimethylpyrazol-4-yl)-(3-fluoro-2-methoxy-4-pyridinyl)methanol
CID 114270280
(1,5-dimethylpyrazol-4-yl)-[3-(2-methylpropyl)phenyl]methanol
CID 116542679
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol (CID 79584669) is (1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol is Cc1c(C(O)c2ccc(C(F)(F)F)cc2)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is XYHNEISFTHILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-8-11(7-17-18(8)2)12(19)9-3-5-10(6-4-9)13(14,15)16/h3-7,12,19H,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol?
(1,5-dimethylpyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 270.25 g/mol, XLogP of 2.83, 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)-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 79584669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).