2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

C12H15F3N4O2 — CID 99819881

IUPAC2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCCCc1nc(Cn2cc(CCO)c(C(F)(F)F)n2)no1
InChIInChI=1S/C12H15F3N4O2/c1-2-3-10-16-9(18-21-10)7-19-6-8(4-5-20)11(17-19)12(13,14)15/h6,20H,2-5,7H2,1H3
InChIKeyNGWTVFUGIFYLTR-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.82
Rot. Bonds6

About 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol

2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 99819881) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID99819881
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCCCc1nc(Cn2cc(CCO)c(C(F)(F)F)n2)no1
InChIInChI=1S/C12H15F3N4O2/c1-2-3-10-16-9(18-21-10)7-19-6-8(4-5-20)11(17-19)12(13,14)15/h6,20H,2-5,7H2,1H3
InChIKeyNGWTVFUGIFYLTR-UHFFFAOYSA-N
XLogP1.82
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 99819881) is 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is CCCc1nc(Cn2cc(CCO)c(C(F)(F)F)n2)no1.
What is the InChIKey of 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is NGWTVFUGIFYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-2-3-10-16-9(18-21-10)7-19-6-8(4-5-20)11(17-19)12(13,14)15/h6,20H,2-5,7H2,1H3.
What are the key properties of 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 304.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 99819881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).