3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole

C24H24N2 — CID 102136182

IUPAC3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole
SMILESCCC1C(c2ccccc2)=NN(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C24H24N2/c1-2-22-23(18-19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25-24(22)20-14-8-4-9-15-20/h3-17,22-23H,2,18H2,1H3
InChIKeyIDYORWRLTMVUQD-UHFFFAOYSA-N
MW340.47 g/mol
LogP5.55
Rot. Bonds5

About 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole

3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 102136182) has the molecular formula C24H24N2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID102136182
Molecular FormulaC24H24N2
Molecular Weight340.47 g/mol
Exact Mass340.19
IUPAC Name3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole
SMILESCCC1C(c2ccccc2)=NN(c2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C24H24N2/c1-2-22-23(18-19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25-24(22)20-14-8-4-9-15-20/h3-17,22-23H,2,18H2,1H3
InChIKeyIDYORWRLTMVUQD-UHFFFAOYSA-N
XLogP5.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.47
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dimethyl (3R,4R)-2,5-diphenyl-3,4-dihydropyrazole-3,4-dicarboxylate
CID 7071906
3-[(3S,4R)-5-(3-chlorophenyl)-4-ethyl-2-phenyl-3,4-dihydropyrazole-3-carbonyl]-1,3-oxazolidin-2-one
CID 25011038
4-benzyl-5-(4-methylphenyl)-2-phenyl-4H-pyrazol-3-one
CID 164623482
(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole
CID 7628458
4-benzyl-3-ethylazetidin-2-one
CID 85185683
CID 14934732
CID 14934732
(1S,2R,6R,7S)-10,10-dimethyl-3,5-diphenyl-3,4-diazatricyclo[5.2.1.02,6]dec-4-ene
CID 11878740
(3aS,8bS)-4-ethyl-3-(4-methylphenyl)-1-phenyl-3a,8b-dihydropyrazolo[3,4-b]indole
CID 14661023
(2R,3R)-2-benzyl-3-methylaziridine
CID 15621251
3,4-diethyl-1-phenylpyrrolidine-2,5-dione
CID 20609571
[(3S,4S)-4-(4-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]methanol
CID 25011052
(3aS,8bS)-1-(4-chlorophenyl)-4-ethyl-3-phenyl-3a,8b-dihydropyrazolo[3,4-b]indole
CID 14661019

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole (CID 102136182) is 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole is CCC1C(c2ccccc2)=NN(c2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is IDYORWRLTMVUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2/c1-2-22-23(18-19-12-6-3-7-13-19)26(21-16-10-5-11-17-21)25-24(22)20-14-8-4-9-15-20/h3-17,22-23H,2,18H2,1H3.
What are the key properties of 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole?
3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 340.47 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-ethyl-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 102136182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).