1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol

C14H16N2O — CID 91754982

IUPAC1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol
SMILESOC1(c2cc(-c3ccccc3)n[nH]2)CCCC1
InChIInChI=1S/C14H16N2O/c17-14(8-4-5-9-14)13-10-12(15-16-13)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,16)
InChIKeyGKHXBOMLCZWNOE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.84
Rot. Bonds2

About 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol

1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol (PubChem CID 91754982) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol
PubChem CID91754982
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol
SMILESOC1(c2cc(-c3ccccc3)n[nH]2)CCCC1
InChIInChI=1S/C14H16N2O/c17-14(8-4-5-9-14)13-10-12(15-16-13)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,16)
InChIKeyGKHXBOMLCZWNOE-UHFFFAOYSA-N
XLogP2.84
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol?
The IUPAC name of 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol (CID 91754982) is 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol is OC1(c2cc(-c3ccccc3)n[nH]2)CCCC1.
What is the InChIKey of 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol?
The InChIKey is GKHXBOMLCZWNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14(8-4-5-9-14)13-10-12(15-16-13)11-6-2-1-3-7-11/h1-3,6-7,10,17H,4-5,8-9H2,(H,15,16).
What are the key properties of 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol?
1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol has a molecular weight of 228.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-1H-pyrazol-5-yl)cyclopentan-1-ol is sourced from PubChem (CID 91754982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).