5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole

C17H15N3O4 — CID 11537133

IUPAC5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole
SMILESCOc1ccc(-c2ccnn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C17H15N3O4/c1-23-14-7-8-15(17(11-14)24-2)16-9-10-18-19(16)12-3-5-13(6-4-12)20(21)22/h3-11H,1-2H3
InChIKeyMUVARASWBFVKDA-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.46
Rot. Bonds5

About 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole

5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole (PubChem CID 11537133) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole
PubChem CID11537133
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole
SMILESCOc1ccc(-c2ccnn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1
InChIInChI=1S/C17H15N3O4/c1-23-14-7-8-15(17(11-14)24-2)16-9-10-18-19(16)12-3-5-13(6-4-12)20(21)22/h3-11H,1-2H3
InChIKeyMUVARASWBFVKDA-UHFFFAOYSA-N
XLogP3.46
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole?
The IUPAC name of 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole (CID 11537133) is 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole?
The canonical SMILES for 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole is COc1ccc(-c2ccnn2-c2ccc([N+](=O)[O-])cc2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole?
The InChIKey is MUVARASWBFVKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-23-14-7-8-15(17(11-14)24-2)16-9-10-18-19(16)12-3-5-13(6-4-12)20(21)22/h3-11H,1-2H3.
What are the key properties of 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole?
5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole has a molecular weight of 325.32 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 11537133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).