1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C10H11F3N4O2 — CID 65197964

IUPAC1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(c1nc(-c2cnn(C)c2)no1)C(O)C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c1-5(7(18)10(11,12)13)9-15-8(16-19-9)6-3-14-17(2)4-6/h3-5,7,18H,1-2H3
InChIKeyNPPPFHATEGFRMF-UHFFFAOYSA-N
MW276.22 g/mol
LogP1.50
Rot. Bonds3

About 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol

1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 65197964) has the molecular formula C10H11F3N4O2 and a molecular weight of 276.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID65197964
Molecular FormulaC10H11F3N4O2
Molecular Weight276.22 g/mol
Exact Mass276.08
IUPAC Name1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(c1nc(-c2cnn(C)c2)no1)C(O)C(F)(F)F
InChIInChI=1S/C10H11F3N4O2/c1-5(7(18)10(11,12)13)9-15-8(16-19-9)6-3-14-17(2)4-6/h3-5,7,18H,1-2H3
InChIKeyNPPPFHATEGFRMF-UHFFFAOYSA-N
XLogP1.50
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol 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 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 65197964) is 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(c1nc(-c2cnn(C)c2)no1)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is NPPPFHATEGFRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2/c1-5(7(18)10(11,12)13)9-15-8(16-19-9)6-3-14-17(2)4-6/h3-5,7,18H,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 276.22 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 65197964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).