[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate

C23H20N2O2 — CID 7065243

IUPAC[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H20N2O2/c1-17(26)27-21-14-12-18(13-15-21)22-16-23(19-8-4-2-5-9-19)25(24-22)20-10-6-3-7-11-20/h2-15,23H,16H2,1H3/t23-/m1/s1
InChIKeyYEASCLFTFSBMLB-HSZRJFAPSA-N
MW356.43 g/mol
LogP4.97
Rot. Bonds4

About [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate

[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate (PubChem CID 7065243) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate.

Molecular Properties

Compound Name[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate
PubChem CID7065243
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C23H20N2O2/c1-17(26)27-21-14-12-18(13-15-21)22-16-23(19-8-4-2-5-9-19)25(24-22)20-10-6-3-7-11-20/h2-15,23H,16H2,1H3/t23-/m1/s1
InChIKeyYEASCLFTFSBMLB-HSZRJFAPSA-N
XLogP4.97
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
CID 50886955
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
4-[2,3-bis(4-methoxyphenyl)-3,4-dihydropyrazol-5-yl]benzoic acid
CID 70518687
N-[4-[(3S)-5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 40539104
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
[4-[2-acetyl-3-(4-chlorophenyl)-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 163544555
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
3,5-bis(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 71408472
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
4-[3-(4-fluorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]benzoic acid
CID 46914885
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate?
The IUPAC name of [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate (CID 7065243) is [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate.
What is the SMILES notation for [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate?
The canonical SMILES for [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate is CC(=O)Oc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate?
The InChIKey is YEASCLFTFSBMLB-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-17(26)27-21-14-12-18(13-15-21)22-16-23(19-8-4-2-5-9-19)25(24-22)20-10-6-3-7-11-20/h2-15,23H,16H2,1H3/t23-/m1/s1.
What are the key properties of [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate?
[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate has a molecular weight of 356.43 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate is sourced from PubChem (CID 7065243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).