2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol

C16H28N2O — CID 62714627

IUPAC2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol
SMILESCC(C)(C)c1cc(C(C)(C)C)n(C2CCCC2O)n1
InChIInChI=1S/C16H28N2O/c1-15(2,3)13-10-14(16(4,5)6)18(17-13)11-8-7-9-12(11)19/h10-12,19H,7-9H2,1-6H3
InChIKeyHQFRDLDCXFTRBH-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.56
Rot. Bonds1

About 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol

2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol (PubChem CID 62714627) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol
PubChem CID62714627
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol
SMILESCC(C)(C)c1cc(C(C)(C)C)n(C2CCCC2O)n1
InChIInChI=1S/C16H28N2O/c1-15(2,3)13-10-14(16(4,5)6)18(17-13)11-8-7-9-12(11)19/h10-12,19H,7-9H2,1-6H3
InChIKeyHQFRDLDCXFTRBH-UHFFFAOYSA-N
XLogP3.56
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Ditert-butylpyrazol-1-yl)ethanol
CID 43531678
1,3-Bis(3,5-ditert-butylpyrazol-1-yl)propan-2-ol
CID 68778773
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 134331678
4-[[3-Tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041996
1-Fluoro-3-(5-methyl-3-propan-2-ylpyrazol-1-yl)propan-2-ol
CID 178165944
trans-(1R,2R)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 138031846
2-(3-Isopropyl-5-methyl-1H-pyrazol-1-yl)ethanol
CID 45096374
1-(3,5-Dimethylpyrazol-1-yl)-3,3-dimethylbutan-2-ol
CID 58099762
cis-4-(3,5-Diisopropyl-pyrazol-1-yl)-cyclohexanol
CID 58256803
2-(3-Tert-butyl-5-propan-2-ylpyrazol-1-yl)ethanol
CID 59540032
3,5-Ditert-butyl-1-(2-methoxyethyl)pyrazole
CID 60096981

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol (CID 62714627) is 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol is CC(C)(C)c1cc(C(C)(C)C)n(C2CCCC2O)n1.
What is the InChIKey of 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is HQFRDLDCXFTRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-15(2,3)13-10-14(16(4,5)6)18(17-13)11-8-7-9-12(11)19/h10-12,19H,7-9H2,1-6H3.
What are the key properties of 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol?
2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 264.41 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylpyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 62714627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).