2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C9H13F3N2O — CID 118344007

IUPAC2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCC(C)n1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O/c1-6(2)14-5-7(3-4-15)8(13-14)9(10,11)12/h5-6,15H,3-4H2,1-2H3
InChIKeyPGSRUCGTEACLQT-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.02
Rot. Bonds3

About 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol

2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 118344007) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID118344007
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCC(C)n1cc(CCO)c(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N2O/c1-6(2)14-5-7(3-4-15)8(13-14)9(10,11)12/h5-6,15H,3-4H2,1-2H3
InChIKeyPGSRUCGTEACLQT-UHFFFAOYSA-N
XLogP2.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 118344007) is 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is CC(C)n1cc(CCO)c(C(F)(F)F)n1.
What is the InChIKey of 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is PGSRUCGTEACLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(2)14-5-7(3-4-15)8(13-14)9(10,11)12/h5-6,15H,3-4H2,1-2H3.
What are the key properties of 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 222.21 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 118344007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).