2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole

C28H24N2O — CID 50886955

IUPAC2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
SMILESc1ccc(COc2ccc(C3=NN(c4ccccc4)C(c4ccccc4)C3)cc2)cc1
InChIInChI=1S/C28H24N2O/c1-4-10-22(11-5-1)21-31-26-18-16-23(17-19-26)27-20-28(24-12-6-2-7-13-24)30(29-27)25-14-8-3-9-15-25/h1-19,28H,20-21H2
InChIKeyGYSPHPGQIPKUCK-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.62
Rot. Bonds6

About 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole

2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole (PubChem CID 50886955) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
PubChem CID50886955
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole
SMILESc1ccc(COc2ccc(C3=NN(c4ccccc4)C(c4ccccc4)C3)cc2)cc1
InChIInChI=1S/C28H24N2O/c1-4-10-22(11-5-1)21-31-26-18-16-23(17-19-26)27-20-28(24-12-6-2-7-13-24)30(29-27)25-14-8-3-9-15-25/h1-19,28H,20-21H2
InChIKeyGYSPHPGQIPKUCK-UHFFFAOYSA-N
XLogP6.62
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[2-phenyl-5-[4-[[2,4,5-tris[[4-[3-[4-(dimethylamino)phenyl]-2-phenyl-3,4-dihydropyrazol-5-yl]phenoxy]methyl]phenyl]methoxy]phenyl]-3,4-dihydropyrazol-3-yl]aniline
CID 42645863
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752
[4-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenyl] acetate
CID 7065243
1-[(3R)-5-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 135831365
(3S)-5-(4-benzylphenyl)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7392937
(3S)-3-[3-[10-[3-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]phenoxy]decoxy]phenyl]-2,5-diphenyl-3,4-dihydropyrazole
CID 139235423
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
3-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyphenyl]-2-phenyl-5-(4-phenylphenyl)-3,4-dihydropyrazole
CID 166809871

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole (CID 50886955) is 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole is c1ccc(COc2ccc(C3=NN(c4ccccc4)C(c4ccccc4)C3)cc2)cc1.
What is the InChIKey of 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is GYSPHPGQIPKUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-4-10-22(11-5-1)21-31-26-18-16-23(17-19-26)27-20-28(24-12-6-2-7-13-24)30(29-27)25-14-8-3-9-15-25/h1-19,28H,20-21H2.
What are the key properties of 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole?
2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 404.51 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-(4-phenylmethoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 50886955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).