1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol

C10H12F6N2O — CID 103312689

IUPAC1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol
SMILESCn1nccc1CCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2O/c1-18-6(4-5-17-18)2-3-7(19)8(9(11,12)13)10(14,15)16/h4-5,7-8,19H,2-3H2,1H3
InChIKeyNXQRZVACKLZYJV-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.45
Rot. Bonds4

About 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol

1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol (PubChem CID 103312689) has the molecular formula C10H12F6N2O and a molecular weight of 290.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol
PubChem CID103312689
Molecular FormulaC10H12F6N2O
Molecular Weight290.21 g/mol
Exact Mass290.09
IUPAC Name1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol
SMILESCn1nccc1CCC(O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6N2O/c1-18-6(4-5-17-18)2-3-7(19)8(9(11,12)13)10(14,15)16/h4-5,7-8,19H,2-3H2,1H3
InChIKeyNXQRZVACKLZYJV-UHFFFAOYSA-N
XLogP2.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-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-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol?
The IUPAC name of 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol (CID 103312689) is 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol is Cn1nccc1CCC(O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol?
The InChIKey is NXQRZVACKLZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2O/c1-18-6(4-5-17-18)2-3-7(19)8(9(11,12)13)10(14,15)16/h4-5,7-8,19H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol?
1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol has a molecular weight of 290.21 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-(2-methylpyrazol-3-yl)-2-(trifluoromethyl)pentan-3-ol is sourced from PubChem (CID 103312689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).