1-(oxolan-2-yl)-3-phenylpyrazole

C13H14N2O — CID 138969625

IUPAC1-(oxolan-2-yl)-3-phenylpyrazole
SMILESc1ccc(-c2ccn(C3CCCO3)n2)cc1
InChIInChI=1S/C13H14N2O/c1-2-5-11(6-3-1)12-8-9-15(14-12)13-7-4-10-16-13/h1-3,5-6,8-9,13H,4,7,10H2
InChIKeyUMXXVAZIWSITAU-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.86
Rot. Bonds2

About 1-(oxolan-2-yl)-3-phenylpyrazole

1-(oxolan-2-yl)-3-phenylpyrazole (PubChem CID 138969625) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-3-phenylpyrazole.

Molecular Properties

Compound Name1-(oxolan-2-yl)-3-phenylpyrazole
PubChem CID138969625
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-(oxolan-2-yl)-3-phenylpyrazole
SMILESc1ccc(-c2ccn(C3CCCO3)n2)cc1
InChIInChI=1S/C13H14N2O/c1-2-5-11(6-3-1)12-8-9-15(14-12)13-7-4-10-16-13/h1-3,5-6,8-9,13H,4,7,10H2
InChIKeyUMXXVAZIWSITAU-UHFFFAOYSA-N
XLogP2.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(oxolan-2-yl)-3-phenylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-3-phenylpyrazole?
The IUPAC name of 1-(oxolan-2-yl)-3-phenylpyrazole (CID 138969625) is 1-(oxolan-2-yl)-3-phenylpyrazole.
What is the SMILES notation for 1-(oxolan-2-yl)-3-phenylpyrazole?
The canonical SMILES for 1-(oxolan-2-yl)-3-phenylpyrazole is c1ccc(-c2ccn(C3CCCO3)n2)cc1.
What is the InChIKey of 1-(oxolan-2-yl)-3-phenylpyrazole?
The InChIKey is UMXXVAZIWSITAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-5-11(6-3-1)12-8-9-15(14-12)13-7-4-10-16-13/h1-3,5-6,8-9,13H,4,7,10H2.
What are the key properties of 1-(oxolan-2-yl)-3-phenylpyrazole?
1-(oxolan-2-yl)-3-phenylpyrazole has a molecular weight of 214.27 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-3-phenylpyrazole is sourced from PubChem (CID 138969625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).