4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde

C24H20N2O3 — CID 7481897

IUPAC4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde
SMILESCOc1cc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c(C=O)cc1C=O
InChIInChI=1S/C24H20N2O3/c1-29-24-14-23(19(15-27)12-20(24)16-28)26-22(18-10-6-3-7-11-18)13-21(25-26)17-8-4-2-5-9-17/h2-12,14-16,22H,13H2,1H3/t22-/m1/s1
InChIKeyNNAJOFALWMPKPI-JOCHJYFZSA-N
MW384.44 g/mol
LogP4.68
Rot. Bonds6

About 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde

4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde (PubChem CID 7481897) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde
PubChem CID7481897
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde
SMILESCOc1cc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c(C=O)cc1C=O
InChIInChI=1S/C24H20N2O3/c1-29-24-14-23(19(15-27)12-20(24)16-28)26-22(18-10-6-3-7-11-18)13-21(25-26)17-8-4-2-5-9-17/h2-12,14-16,22H,13H2,1H3/t22-/m1/s1
InChIKeyNNAJOFALWMPKPI-JOCHJYFZSA-N
XLogP4.68
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
4-[5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzaldehyde
CID 3756212
2-[3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 56692595
4-[4-[(3R)-5-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]phenyl]-2,6-diphenylpyridine
CID 98593755
2-[4-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetic acid
CID 7675432
4-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488350
(3S)-3-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7380769
2-[(3S)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4,6-diphenylpyrimidine
CID 92844911
3-phenyl-6-[5-phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]pyridazine
CID 127029073
(3S)-2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7385749
5-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883031
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde?
The IUPAC name of 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde (CID 7481897) is 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde?
The canonical SMILES for 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde is COc1cc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c(C=O)cc1C=O.
What is the InChIKey of 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde?
The InChIKey is NNAJOFALWMPKPI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20N2O3/c1-29-24-14-23(19(15-27)12-20(24)16-28)26-22(18-10-6-3-7-11-18)13-21(25-26)17-8-4-2-5-9-17/h2-12,14-16,22H,13H2,1H3/t22-/m1/s1.
What are the key properties of 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde?
4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde has a molecular weight of 384.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-6-methoxybenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 7481897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).