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

C23H20N2O2 — CID 46862007

IUPACbenzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C23H20N2O2/c26-23(27-17-18-10-4-1-5-11-18)25-16-21(19-12-6-2-7-13-19)22(24-25)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyDWTZWYGEXXHPIV-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.83
Rot. Bonds4

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

benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate (PubChem CID 46862007) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate.

Molecular Properties

Compound Namebenzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate
PubChem CID46862007
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Namebenzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate
SMILESO=C(OCc1ccccc1)N1CC(c2ccccc2)C(c2ccccc2)=N1
InChIInChI=1S/C23H20N2O2/c26-23(27-17-18-10-4-1-5-11-18)25-16-21(19-12-6-2-7-13-19)22(24-25)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyDWTZWYGEXXHPIV-UHFFFAOYSA-N
XLogP4.83
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (4S)-4-phenyl-4,5-dihydroimidazole-1-carboxylate
CID 10707871
5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 135164628
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 2-oxo-4-phenylazetidine-1-carboxylate
CID 11323488
benzyl 3-(4-chlorophenyl)-2-oxoazetidine-1-carboxylate
CID 166438404
(2S,3S,4R)-4-hydroxy-3-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 71294713
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
benzyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 44828813
(3R,5S)-5-phenyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 102278836
benzyl aziridine-1-carboxylate;silane
CID 158496499
2-[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carbonyl]benzenesulfonamide
CID 141187695
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975

Frequently Asked Questions

What is the IUPAC name of benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate?
The IUPAC name of benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate (CID 46862007) is benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate.
What is the SMILES notation for benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate?
The canonical SMILES for benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate is O=C(OCc1ccccc1)N1CC(c2ccccc2)C(c2ccccc2)=N1.
What is the InChIKey of benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate?
The InChIKey is DWTZWYGEXXHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23(27-17-18-10-4-1-5-11-18)25-16-21(19-12-6-2-7-13-19)22(24-25)20-14-8-3-9-15-20/h1-15,21H,16-17H2.
What are the key properties of benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate?
benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate is sourced from PubChem (CID 46862007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).