5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole

C11H10N4O5 — CID 3701949

IUPAC5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole
SMILESCOc1c([N+](=O)[O-])c(C)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O5/c1-7-10(15(18)19)11(20-2)13(12-7)8-3-5-9(6-4-8)14(16)17/h3-6H,1-2H3
InChIKeyRXVNSRLVAPTMGJ-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.01
Rot. Bonds4

About 5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole

5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole (PubChem CID 3701949) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole
PubChem CID3701949
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole
SMILESCOc1c([N+](=O)[O-])c(C)nn1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H10N4O5/c1-7-10(15(18)19)11(20-2)13(12-7)8-3-5-9(6-4-8)14(16)17/h3-6H,1-2H3
InChIKeyRXVNSRLVAPTMGJ-UHFFFAOYSA-N
XLogP2.01
TPSA113.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
The IUPAC name of 5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole (CID 3701949) is 5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
The canonical SMILES for 5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole is COc1c([N+](=O)[O-])c(C)nn1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
The InChIKey is RXVNSRLVAPTMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c1-7-10(15(18)19)11(20-2)13(12-7)8-3-5-9(6-4-8)14(16)17/h3-6H,1-2H3.
What are the key properties of 5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole has a molecular weight of 278.22 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-4-nitro-1-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 3701949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).