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

C11H17F3N2O — CID 168907508

IUPAC2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
SMILESCC(CO)Cc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C11H17F3N2O/c1-7(2)16-9(4-8(3)6-17)5-10(15-16)11(12,13)14/h5,7-8,17H,4,6H2,1-3H3
InChIKeyXNYXSCMFXUEOQH-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.65
Rot. Bonds4

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

2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol (PubChem CID 168907508) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
PubChem CID168907508
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol
SMILESCC(CO)Cc1cc(C(F)(F)F)nn1C(C)C
InChIInChI=1S/C11H17F3N2O/c1-7(2)16-9(4-8(3)6-17)5-10(15-16)11(12,13)14/h5,7-8,17H,4,6H2,1-3H3
InChIKeyXNYXSCMFXUEOQH-UHFFFAOYSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)propan-1-ol
CID 75175982
2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
5-cyclopropyl-3-(difluoromethyl)-1-[(3S)-oxan-3-yl]pyrazole
CID 164630170
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
1,5-Di(propan-2-yl)-3-(trifluoromethyl)pyrazole
CID 58977184
3-Tert-butyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 59766639
5-Cyclopropyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
CID 90162039
5-Cyclopentyl-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole
CID 90162078
3-(1,1-Difluoroethyl)-5-(2-methylpropyl)-1-propan-2-ylpyrazole
CID 90162099
1,3-Di(propan-2-yl)-5-(trifluoromethyl)pyrazole
CID 90162112
3-(1,1-Difluoroethyl)-1,5-di(propan-2-yl)pyrazole
CID 90162128
5-(2-Methylpropyl)-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 90162766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol?
The IUPAC name of 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol (CID 168907508) is 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol is CC(CO)Cc1cc(C(F)(F)F)nn1C(C)C.
What is the InChIKey of 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol?
The InChIKey is XNYXSCMFXUEOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-7(2)16-9(4-8(3)6-17)5-10(15-16)11(12,13)14/h5,7-8,17H,4,6H2,1-3H3.
What are the key properties of 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol?
2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol has a molecular weight of 250.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]propan-1-ol is sourced from PubChem (CID 168907508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).