1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole

C19H19N3O2 — CID 891821

IUPAC1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole
SMILESCCc1ccc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)cc1
InChIInChI=1S/C19H19N3O2/c1-4-15-8-10-17(11-9-15)21-14(3)19(13(2)20-21)16-6-5-7-18(12-16)22(23)24/h5-12H,4H2,1-3H3
InChIKeyGBIZVXFRSMTSSY-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.63
Rot. Bonds4

About 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole

1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole (PubChem CID 891821) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole
PubChem CID891821
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole
SMILESCCc1ccc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)cc1
InChIInChI=1S/C19H19N3O2/c1-4-15-8-10-17(11-9-15)21-14(3)19(13(2)20-21)16-6-5-7-18(12-16)22(23)24/h5-12H,4H2,1-3H3
InChIKeyGBIZVXFRSMTSSY-UHFFFAOYSA-N
XLogP4.63
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-(3-chloro-4-nitrophenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole
CID 50884209
1-benzyl-3,5-dimethyl-4-(3-nitrophenyl)pyrazole
CID 1322728
4-(3,4-dichlorophenyl)-3,5-dimethyl-1-(4-nitrophenyl)pyrazole
CID 50884208
5-chloro-4-ethyl-3-methyl-1-(3-nitrophenyl)pyrazole
CID 66020540
(4Z)-4-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylidene]-2-ethyl-1,3-oxazol-5-one
CID 126006451
[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenyl]methanamine
CID 61033660
2,4,6-trimethyl-3-(3-nitrophenyl)pyridine
CID 141175511
(4-nitrophenyl)methyl 4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzoate
CID 50888368
1-(4-chlorophenyl)-5-ethyl-3-(3-nitrophenyl)pyrazole-4-carboxylic acid
CID 3748516
6,11,13-trimethyl-8-(3-nitrophenyl)-4-phenyl-2,4,5,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),2,5,7-tetraene-10,12-dione
CID 102516933
4-(4-methylphenyl)-3,5-bis(3-nitrophenyl)-1,2,4-triazole
CID 135062809
2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid;methanol
CID 158238008

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole?
The IUPAC name of 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole (CID 891821) is 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole.
What is the SMILES notation for 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole?
The canonical SMILES for 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole is CCc1ccc(-n2nc(C)c(-c3cccc([N+](=O)[O-])c3)c2C)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole?
The InChIKey is GBIZVXFRSMTSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-4-15-8-10-17(11-9-15)21-14(3)19(13(2)20-21)16-6-5-7-18(12-16)22(23)24/h5-12H,4H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole?
1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole has a molecular weight of 321.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3,5-dimethyl-4-(3-nitrophenyl)pyrazole is sourced from PubChem (CID 891821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).