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

C10H11F3N4O2 — CID 84597422

IUPAC2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCc1noc(Cn2cc(CCO)c(C(F)(F)F)n2)n1
InChIInChI=1S/C10H11F3N4O2/c1-6-14-8(19-16-6)5-17-4-7(2-3-18)9(15-17)10(11,12)13/h4,18H,2-3,5H2,1H3
InChIKeyNTMLFHVLALQATN-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.18
Rot. Bonds4

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

2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (PubChem CID 84597422) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
PubChem CID84597422
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol
SMILESCc1noc(Cn2cc(CCO)c(C(F)(F)F)n2)n1
InChIInChI=1S/C10H11F3N4O2/c1-6-14-8(19-16-6)5-17-4-7(2-3-18)9(15-17)10(11,12)13/h4,18H,2-3,5H2,1H3
InChIKeyNTMLFHVLALQATN-UHFFFAOYSA-N
XLogP1.18
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol (CID 84597422) is 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is Cc1noc(Cn2cc(CCO)c(C(F)(F)F)n2)n1.
What is the InChIKey of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
The InChIKey is NTMLFHVLALQATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-6-14-8(19-16-6)5-17-4-7(2-3-18)9(15-17)10(11,12)13/h4,18H,2-3,5H2,1H3.
What are the key properties of 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol?
2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol has a molecular weight of 276.22 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]ethanol is sourced from PubChem (CID 84597422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).