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

C13H13F3N2O — CID 69280245

IUPAC[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO
InChIInChI=1S/C13H13F3N2O/c1-2-18-11(8-19)7-12(17-18)9-3-5-10(6-4-9)13(14,15)16/h3-7,19H,2,8H2,1H3
InChIKeyPTMNGJDHRQJFBD-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.08
Rot. Bonds3

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

[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (PubChem CID 69280245) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is [1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
PubChem CID69280245
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol
SMILESCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO
InChIInChI=1S/C13H13F3N2O/c1-2-18-11(8-19)7-12(17-18)9-3-5-10(6-4-9)13(14,15)16/h3-7,19H,2,8H2,1H3
InChIKeyPTMNGJDHRQJFBD-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The IUPAC name of [1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol (CID 69280245) is [1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol.
What is the SMILES notation for [1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The canonical SMILES for [1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is CCn1nc(-c2ccc(C(F)(F)F)cc2)cc1CO.
What is the InChIKey of [1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
The InChIKey is PTMNGJDHRQJFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-2-18-11(8-19)7-12(17-18)9-3-5-10(6-4-9)13(14,15)16/h3-7,19H,2,8H2,1H3.
What are the key properties of [1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol?
[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol has a molecular weight of 270.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methanol is sourced from PubChem (CID 69280245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).