5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole

C18H20N2O — CID 3415879

IUPAC5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCC(C)Oc1ccc(C2=NNC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H20N2O/c1-13(2)21-16-10-8-15(9-11-16)18-12-17(19-20-18)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3
InChIKeyVYLHSJULPWABLD-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.91
Rot. Bonds4

About 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole

5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole (PubChem CID 3415879) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole.

Molecular Properties

Compound Name5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
PubChem CID3415879
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole
SMILESCC(C)Oc1ccc(C2=NNC(c3ccccc3)C2)cc1
InChIInChI=1S/C18H20N2O/c1-13(2)21-16-10-8-15(9-11-16)18-12-17(19-20-18)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3
InChIKeyVYLHSJULPWABLD-UHFFFAOYSA-N
XLogP3.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole 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 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole?
The IUPAC name of 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole (CID 3415879) is 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole.
What is the SMILES notation for 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole?
The canonical SMILES for 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole is CC(C)Oc1ccc(C2=NNC(c3ccccc3)C2)cc1.
What is the InChIKey of 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole?
The InChIKey is VYLHSJULPWABLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)21-16-10-8-15(9-11-16)18-12-17(19-20-18)14-6-4-3-5-7-14/h3-11,13,17,19H,12H2,1-2H3.
What are the key properties of 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole?
5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole has a molecular weight of 280.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(4-propan-2-yloxyphenyl)-4,5-dihydro-1H-pyrazole is sourced from PubChem (CID 3415879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).