3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol

C13H22N2O — CID 103006532

IUPAC3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
SMILESCn1cc(CCC2(O)CCC(C)(C)C2)cn1
InChIInChI=1S/C13H22N2O/c1-12(2)6-7-13(16,10-12)5-4-11-8-14-15(3)9-11/h8-9,16H,4-7,10H2,1-3H3
InChIKeyWGFLKOIXGVCPOQ-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.29
Rot. Bonds3

About 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol

3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol (PubChem CID 103006532) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
PubChem CID103006532
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
SMILESCn1cc(CCC2(O)CCC(C)(C)C2)cn1
InChIInChI=1S/C13H22N2O/c1-12(2)6-7-13(16,10-12)5-4-11-8-14-15(3)9-11/h8-9,16H,4-7,10H2,1-3H3
InChIKeyWGFLKOIXGVCPOQ-UHFFFAOYSA-N
XLogP2.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol (CID 103006532) is 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol is Cn1cc(CCC2(O)CCC(C)(C)C2)cn1.
What is the InChIKey of 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol?
The InChIKey is WGFLKOIXGVCPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(2)6-7-13(16,10-12)5-4-11-8-14-15(3)9-11/h8-9,16H,4-7,10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol?
3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 103006532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).