4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole

C13H14N2O — CID 167820480

IUPAC4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole
SMILESCc1ccc(-c2cnn(C3COC3)c2)cc1
InChIInChI=1S/C13H14N2O/c1-10-2-4-11(5-3-10)12-6-14-15(7-12)13-8-16-9-13/h2-7,13H,8-9H2,1H3
InChIKeyWWKUELVSWDEMPV-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.43
Rot. Bonds2

About 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole

4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole (PubChem CID 167820480) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole
PubChem CID167820480
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole
SMILESCc1ccc(-c2cnn(C3COC3)c2)cc1
InChIInChI=1S/C13H14N2O/c1-10-2-4-11(5-3-10)12-6-14-15(7-12)13-8-16-9-13/h2-7,13H,8-9H2,1H3
InChIKeyWWKUELVSWDEMPV-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole?
The IUPAC name of 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole (CID 167820480) is 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole.
What is the SMILES notation for 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole?
The canonical SMILES for 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole is Cc1ccc(-c2cnn(C3COC3)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole?
The InChIKey is WWKUELVSWDEMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-2-4-11(5-3-10)12-6-14-15(7-12)13-8-16-9-13/h2-7,13H,8-9H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole?
4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole has a molecular weight of 214.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-1-(oxetan-3-yl)pyrazole is sourced from PubChem (CID 167820480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).