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

C14H15F3N2O — CID 58733792

IUPAC1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1C(C)O
InChIInChI=1S/C14H15F3N2O/c1-8-13(10(3)20)9(2)19(18-8)12-6-4-11(5-7-12)14(15,16)17/h4-7,10,20H,1-3H3
InChIKeyHTDRHKYVPDSTRG-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.56
Rot. Bonds2

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

1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol (PubChem CID 58733792) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
PubChem CID58733792
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1C(C)O
InChIInChI=1S/C14H15F3N2O/c1-8-13(10(3)20)9(2)19(18-8)12-6-4-11(5-7-12)14(15,16)17/h4-7,10,20H,1-3H3
InChIKeyHTDRHKYVPDSTRG-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
The IUPAC name of 1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol (CID 58733792) is 1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol is Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1C(C)O.
What is the InChIKey of 1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
The InChIKey is HTDRHKYVPDSTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-8-13(10(3)20)9(2)19(18-8)12-6-4-11(5-7-12)14(15,16)17/h4-7,10,20H,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol?
1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol has a molecular weight of 284.28 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 58733792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).