2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole

C22H19N3O3 — CID 2865835

IUPAC2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1N1N=C(c2ccc([N+](=O)[O-])cc2)CC1c1ccccc1
InChIInChI=1S/C22H19N3O3/c1-28-22-10-6-5-9-20(22)24-21(17-7-3-2-4-8-17)15-19(23-24)16-11-13-18(14-12-16)25(26)27/h2-14,21H,15H2,1H3
InChIKeyOFUOEGQNHUFNKF-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.96
Rot. Bonds5

About 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole

2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole (PubChem CID 2865835) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
PubChem CID2865835
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC Name2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCOc1ccccc1N1N=C(c2ccc([N+](=O)[O-])cc2)CC1c1ccccc1
InChIInChI=1S/C22H19N3O3/c1-28-22-10-6-5-9-20(22)24-21(17-7-3-2-4-8-17)15-19(23-24)16-11-13-18(14-12-16)25(26)27/h2-14,21H,15H2,1H3
InChIKeyOFUOEGQNHUFNKF-UHFFFAOYSA-N
XLogP4.96
TPSA67.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-Methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 349865
(1E,2Z)-N-[4-(2-Methoxyphenyl)piperazin-1-YL]-3-(2-nitrophenyl)prop-2-EN-1-imine
CID 6878798
3-(4-methoxyphenyl)-1,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 349866
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(4-nitrophenyl)methanimine
CID 5727633
N-(4-(2-Methoxyphenyl)-1-piperazinyl)-N-(3-(2-nitrophenyl)-2-propenylidene)amine
CID 6878799
1H-Pyrazole, 4,5-dihydro-3,5-bis(4-methoxyphenyl)-1-phenyl-
CID 3112967
1-(2-methoxyphenyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazole
CID 2865685
2-Pyrazoline, 3-(p-chlorophenyl)-1-(o-methoxyphenyl)-5-phenyl-
CID 3065971
4-[3-(4-methoxyphenyl)-5-(4-nitrophenyl)-1-oxido-2,4-dihydroimidazol-1-ium-2-yl]-N,N-dimethylaniline
CID 44441486
5-(2-methoxyphenyl)-1,3-diphenyl-4,5-dihydro-1H-pyrazole
CID 2729172
5-(4-Fluorophenyl)-3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
CID 631402
3-(2-Fluorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
CID 2883067

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole (CID 2865835) is 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole is COc1ccccc1N1N=C(c2ccc([N+](=O)[O-])cc2)CC1c1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
The InChIKey is OFUOEGQNHUFNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-28-22-10-6-5-9-20(22)24-21(17-7-3-2-4-8-17)15-19(23-24)16-11-13-18(14-12-16)25(26)27/h2-14,21H,15H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole?
2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole has a molecular weight of 373.41 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-5-(4-nitrophenyl)-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 2865835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).