2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol

C11H17N3O — CID 126900433

IUPAC2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol
SMILESOC1CCCC1N1CC(n2cccn2)C1
InChIInChI=1S/C11H17N3O/c15-11-4-1-3-10(11)13-7-9(8-13)14-6-2-5-12-14/h2,5-6,9-11,15H,1,3-4,7-8H2
InChIKeyFEXVVAZSACPKHD-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.65
Rot. Bonds2

About 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol

2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol (PubChem CID 126900433) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol
PubChem CID126900433
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol
SMILESOC1CCCC1N1CC(n2cccn2)C1
InChIInChI=1S/C11H17N3O/c15-11-4-1-3-10(11)13-7-9(8-13)14-6-2-5-12-14/h2,5-6,9-11,15H,1,3-4,7-8H2
InChIKeyFEXVVAZSACPKHD-UHFFFAOYSA-N
XLogP0.65
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol?
The IUPAC name of 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol (CID 126900433) is 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol is OC1CCCC1N1CC(n2cccn2)C1.
What is the InChIKey of 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol?
The InChIKey is FEXVVAZSACPKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c15-11-4-1-3-10(11)13-7-9(8-13)14-6-2-5-12-14/h2,5-6,9-11,15H,1,3-4,7-8H2.
What are the key properties of 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol?
2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol has a molecular weight of 207.28 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrazol-1-ylazetidin-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 126900433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).