3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol

C14H16N2O — CID 79632343

IUPAC3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol
SMILESOC1CCC(n2cc(-c3ccccc3)cn2)C1
InChIInChI=1S/C14H16N2O/c17-14-7-6-13(8-14)16-10-12(9-15-16)11-4-2-1-3-5-11/h1-5,9-10,13-14,17H,6-8H2
InChIKeyYJKKUPVLIHMDFZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.64
Rot. Bonds2

About 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol

3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol (PubChem CID 79632343) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol
PubChem CID79632343
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol
SMILESOC1CCC(n2cc(-c3ccccc3)cn2)C1
InChIInChI=1S/C14H16N2O/c17-14-7-6-13(8-14)16-10-12(9-15-16)11-4-2-1-3-5-11/h1-5,9-10,13-14,17H,6-8H2
InChIKeyYJKKUPVLIHMDFZ-UHFFFAOYSA-N
XLogP2.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol (CID 79632343) is 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol is OC1CCC(n2cc(-c3ccccc3)cn2)C1.
What is the InChIKey of 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is YJKKUPVLIHMDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c17-14-7-6-13(8-14)16-10-12(9-15-16)11-4-2-1-3-5-11/h1-5,9-10,13-14,17H,6-8H2.
What are the key properties of 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol?
3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 228.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 79632343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).