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

C12H17F3N2O — CID 134331678

IUPAC3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(O)C1
InChIInChI=1S/C12H17F3N2O/c1-7(2)10-6-11(12(13,14)15)16-17(10)8-3-4-9(18)5-8/h6-9,18H,3-5H2,1-2H3
InChIKeyQOZVWDOLEZXFTH-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.11
Rot. Bonds2

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

3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (PubChem CID 134331678) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
PubChem CID134331678
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(O)C1
InChIInChI=1S/C12H17F3N2O/c1-7(2)10-6-11(12(13,14)15)16-17(10)8-3-4-9(18)5-8/h6-9,18H,3-5H2,1-2H3
InChIKeyQOZVWDOLEZXFTH-UHFFFAOYSA-N
XLogP3.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.11
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
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
[5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
CID 90300070
2-(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-ol
CID 121211723
4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 122633452
4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 122633563
3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 122633606
1-(Oxetan-3-ylmethyl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 130210327
1-(3,3-Difluorocyclopentyl)-3-methyl-5-(oxolan-3-yl)pyrazole
CID 134316874
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 134331554
4-[5-Ethyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 134331572
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 134331573

Frequently Asked Questions

What is the IUPAC name of 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The IUPAC name of 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol (CID 134331678) is 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The canonical SMILES for 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is CC(C)c1cc(C(F)(F)F)nn1C1CCC(O)C1.
What is the InChIKey of 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
The InChIKey is QOZVWDOLEZXFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-7(2)10-6-11(12(13,14)15)16-17(10)8-3-4-9(18)5-8/h6-9,18H,3-5H2,1-2H3.
What are the key properties of 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol?
3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 134331678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).