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

C18H19N3O3 — CID 134940970

IUPAC5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(C)C2C)cc1
InChIInChI=1S/C18H19N3O3/c1-12-13(2)20(15-6-8-16(9-7-15)21(22)23)19-18(12)14-4-10-17(24-3)11-5-14/h4-13H,1-3H3
InChIKeyIPSOWHFZQPJUHO-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.85
Rot. Bonds4

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

5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole (PubChem CID 134940970) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
PubChem CID134940970
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(C)C2C)cc1
InChIInChI=1S/C18H19N3O3/c1-12-13(2)20(15-6-8-16(9-7-15)21(22)23)19-18(12)14-4-10-17(24-3)11-5-14/h4-13H,1-3H3
InChIKeyIPSOWHFZQPJUHO-UHFFFAOYSA-N
XLogP3.85
TPSA67.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.85
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

methyl 4-methyl-2-(4-nitrophenyl)-5-phenyl-3,4-dihydropyrazole-3-carboxylate
CID 22303138
2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine
CID 102257808
(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7154940
5-(4-methoxyphenyl)-2-(4-nitrophenyl)pyrazole-3,4-dione
CID 15351216
5-(4-methoxyphenyl)-1-methyl-2,3-bis(4-nitrophenyl)imidazol-1-ium-4-thiolate
CID 177491964
(1R,2S,6R,7S,8S,12R)-10-(4-methoxyphenyl)-5-(4-nitrophenyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 124771280
(1S,2R,6S,7S,8R,12S)-10-(4-methoxyphenyl)-5-(4-nitrophenyl)-3-oxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
CID 51666075
(3aS,6aS)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-1-phenyl-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
CID 98154380
(3R)-5-(4-methoxyphenyl)-3-(3-nitrophenyl)-2-phenyl-3,4-dihydropyrazole
CID 7431710
[5-(4-cyanophenyl)-2-(4-methoxyphenyl)-4-methyl-3,4-dihydropyrazol-3-yl]methyl methanesulfonate
CID 90158600
(3aR,6aS)-3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-1-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-4,6-dione
CID 98078181
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
The IUPAC name of 5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole (CID 134940970) is 5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(C)C2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
The InChIKey is IPSOWHFZQPJUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-13(2)20(15-6-8-16(9-7-15)21(22)23)19-18(12)14-4-10-17(24-3)11-5-14/h4-13H,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole?
5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole has a molecular weight of 325.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3,4-dimethyl-2-(4-nitrophenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 134940970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).