6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol

C12H19F3N2O — CID 105104669

IUPAC6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol
SMILESCc1nn(C)c(C)c1CCC(O)CCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-8-11(9(2)17(3)16-8)5-4-10(18)6-7-12(13,14)15/h10,18H,4-7H2,1-3H3
InChIKeyXZUMXWWOLFLGEQ-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.67
Rot. Bonds5

About 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol

6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol (PubChem CID 105104669) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol
PubChem CID105104669
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol
SMILESCc1nn(C)c(C)c1CCC(O)CCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-8-11(9(2)17(3)16-8)5-4-10(18)6-7-12(13,14)15/h10,18H,4-7H2,1-3H3
InChIKeyXZUMXWWOLFLGEQ-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-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

Related Compounds

4,5,6,7-Tetrahydro-5-hydroxy-1-methyl-3-trifluoromethyl-1H-indazole
CID 57368460
3-(1,1-Difluoroethyl)-4-ethyl-5-methyl-1-(oxan-2-yl)pyrazole
CID 71143397
1-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-ol
CID 71204422
3-(difluoromethyl)-7,7-difluoro-1-methyl-5,6-dihydro-4H-indazol-4-ol
CID 90167674
1-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-ol
CID 90167802
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 90167822
1-Ethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 118357736
1-Propan-2-yl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-6-ol
CID 129129791
1-ethyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-ol
CID 129129812
[3-(1,1-Difluoroethyl)-1,5-dimethylpyrazol-4-yl]methanol;ethane
CID 145222067
1-[1,4-Dimethyl-5-(trifluoromethyl)pyrazol-3-yl]ethanol
CID 146874436
(5R,12S)-15,15-difluoro-4,5,13-trimethyl-4,8,9-triazatricyclo[7.6.0.02,7]pentadeca-1,7-dien-12-ol
CID 155360670

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol?
The IUPAC name of 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol (CID 105104669) is 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol.
What is the SMILES notation for 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol?
The canonical SMILES for 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol is Cc1nn(C)c(C)c1CCC(O)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol?
The InChIKey is XZUMXWWOLFLGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8-11(9(2)17(3)16-8)5-4-10(18)6-7-12(13,14)15/h10,18H,4-7H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol?
6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol has a molecular weight of 264.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-ol is sourced from PubChem (CID 105104669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).