[1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

C13H13F3N2O — CID 69283865

IUPAC[1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)nn(C)c1CO
InChIInChI=1S/C13H13F3N2O/c1-8-11(7-19)18(2)17-12(8)9-3-5-10(6-4-9)13(14,15)16/h3-6,19H,7H2,1-2H3
InChIKeyDZOMWPTVJTUWPW-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.91
Rot. Bonds2

About [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol

[1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (PubChem CID 69283865) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
PubChem CID69283865
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name[1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCc1c(-c2ccc(C(F)(F)F)cc2)nn(C)c1CO
InChIInChI=1S/C13H13F3N2O/c1-8-11(7-19)18(2)17-12(8)9-3-5-10(6-4-9)13(14,15)16/h3-6,19H,7H2,1-2H3
InChIKeyDZOMWPTVJTUWPW-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The IUPAC name of [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (CID 69283865) is [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The canonical SMILES for [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is Cc1c(-c2ccc(C(F)(F)F)cc2)nn(C)c1CO.
What is the InChIKey of [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The InChIKey is DZOMWPTVJTUWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-8-11(7-19)18(2)17-12(8)9-3-5-10(6-4-9)13(14,15)16/h3-6,19H,7H2,1-2H3.
What are the key properties of [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
[1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol has a molecular weight of 270.25 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 69283865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).