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

C11H10N4O5 — CID 134910252

IUPAC3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole
SMILESCOc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O5/c1-7-10(15(18)19)11(20-2)12-13(7)8-3-5-9(6-4-8)14(16)17/h3-6H,1-2H3
InChIKeyFRHBVYWXEASMFA-UHFFFAOYSA-N
MW278.22 g/mol
LogP2.01
Rot. Bonds4

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

3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole (PubChem CID 134910252) has the molecular formula C11H10N4O5 and a molecular weight of 278.22 g/mol. Its IUPAC name is 3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole.

Molecular Properties

Compound Name3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole
PubChem CID134910252
Molecular FormulaC11H10N4O5
Molecular Weight278.22 g/mol
Exact Mass278.07
IUPAC Name3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole
SMILESCOc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O5/c1-7-10(15(18)19)11(20-2)12-13(7)8-3-5-9(6-4-8)14(16)17/h3-6H,1-2H3
InChIKeyFRHBVYWXEASMFA-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 3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
The IUPAC name of 3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole (CID 134910252) is 3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole.
What is the SMILES notation for 3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
The canonical SMILES for 3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole is COc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
The InChIKey is FRHBVYWXEASMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O5/c1-7-10(15(18)19)11(20-2)12-13(7)8-3-5-9(6-4-8)14(16)17/h3-6H,1-2H3.
What are the key properties of 3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole?
3-methoxy-5-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 3-methoxy-5-methyl-4-nitro-1-(4-nitrophenyl)pyrazole is sourced from PubChem (CID 134910252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).