1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol

C8H8F6N2O — CID 102332325

IUPAC1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(O)Cn1nc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4(17)3-16-6(8(12,13)14)2-5(15-16)7(9,10)11/h2,4,17H,3H2,1H3
InChIKeyGULSCZDCLKKXSR-UHFFFAOYSA-N
MW262.15 g/mol
LogP2.30
Rot. Bonds2

About 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol

1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol (PubChem CID 102332325) has the molecular formula C8H8F6N2O and a molecular weight of 262.15 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol
PubChem CID102332325
Molecular FormulaC8H8F6N2O
Molecular Weight262.15 g/mol
Exact Mass262.05
IUPAC Name1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol
SMILESCC(O)Cn1nc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C8H8F6N2O/c1-4(17)3-16-6(8(12,13)14)2-5(15-16)7(9,10)11/h2,4,17H,3H2,1H3
InChIKeyGULSCZDCLKKXSR-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-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-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol (CID 102332325) is 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol is CC(O)Cn1nc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
The InChIKey is GULSCZDCLKKXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N2O/c1-4(17)3-16-6(8(12,13)14)2-5(15-16)7(9,10)11/h2,4,17H,3H2,1H3.
What are the key properties of 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol?
1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol has a molecular weight of 262.15 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 102332325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).