1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone

C23H20N2O — CID 2925641

IUPAC1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H20N2O/c26-23(16-18-10-4-1-5-11-18)25-22(20-14-8-3-9-15-20)17-21(24-25)19-12-6-2-7-13-19/h1-15,22H,16-17H2
InChIKeyWTPKUPZQOANMBU-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.61
Rot. Bonds4

About 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone

1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone (PubChem CID 2925641) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone
PubChem CID2925641
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C23H20N2O/c26-23(16-18-10-4-1-5-11-18)25-22(20-14-8-3-9-15-20)17-21(24-25)19-12-6-2-7-13-19/h1-15,22H,16-17H2
InChIKeyWTPKUPZQOANMBU-UHFFFAOYSA-N
XLogP4.61
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(phenyl)methanone
CID 2841175
Phenyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3063662
Cyclohexyl(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)methanone
CID 3078480
Talastine
CID 65624
1-benzoyl-5-(4-chlorophenyl)-3-phenyl-4,5-dihydro-1H-pyrazole
CID 4685291
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
CID 10149544
1-[3-(2,5-difluorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-2,2-dimethylpropan-1-one
CID 24901490
3,5-diphenyl-4,5-dihydro-1H-pyrazole-1-carbaldehyde
CID 2841378
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
(2-Fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2952491
Flezelastine
CID 60432

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone (CID 2925641) is 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone is O=C(Cc1ccccc1)N1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone?
The InChIKey is WTPKUPZQOANMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c26-23(16-18-10-4-1-5-11-18)25-22(20-14-8-3-9-15-20)17-21(24-25)19-12-6-2-7-13-19/h1-15,22H,16-17H2.
What are the key properties of 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone?
1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone has a molecular weight of 340.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)-2-phenylethanone is sourced from PubChem (CID 2925641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).