1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone

C24H23N3O — CID 141289036

IUPAC1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone
SMILESCNc1ccccc1N1N=C(C(C)=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H23N3O/c1-17(28)23-22(18-11-5-3-6-12-18)24(19-13-7-4-8-14-19)27(26-23)21-16-10-9-15-20(21)25-2/h3-16,22,24-25H,1-2H3
InChIKeyVHGGFWBTEVSWBU-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.02
Rot. Bonds5

About 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone

1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone (PubChem CID 141289036) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone
PubChem CID141289036
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone
SMILESCNc1ccccc1N1N=C(C(C)=O)C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C24H23N3O/c1-17(28)23-22(18-11-5-3-6-12-18)24(19-13-7-4-8-14-19)27(26-23)21-16-10-9-15-20(21)25-2/h3-16,22,24-25H,1-2H3
InChIKeyVHGGFWBTEVSWBU-UHFFFAOYSA-N
XLogP5.02
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone 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-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone?
The IUPAC name of 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone (CID 141289036) is 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone is CNc1ccccc1N1N=C(C(C)=O)C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone?
The InChIKey is VHGGFWBTEVSWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17(28)23-22(18-11-5-3-6-12-18)24(19-13-7-4-8-14-19)27(26-23)21-16-10-9-15-20(21)25-2/h3-16,22,24-25H,1-2H3.
What are the key properties of 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone?
1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone has a molecular weight of 369.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylamino)phenyl]-3,4-diphenyl-3,4-dihydropyrazol-5-yl]ethanone is sourced from PubChem (CID 141289036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).