6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide

C15H12N6O4 — CID 167947724

IUPAC6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)nn1
InChIInChI=1S/C15H12N6O4/c1-25-14-7-6-12(18-19-14)15(22)17-13-8-9-16-20(13)10-2-4-11(5-3-10)21(23)24/h2-9H,1H3,(H,17,22)
InChIKeyXCQYHZGTLAXGFH-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.83
Rot. Bonds5

About 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide

6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide (PubChem CID 167947724) has the molecular formula C15H12N6O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide
PubChem CID167947724
Molecular FormulaC15H12N6O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)nn1
InChIInChI=1S/C15H12N6O4/c1-25-14-7-6-12(18-19-14)15(22)17-13-8-9-16-20(13)10-2-4-11(5-3-10)21(23)24/h2-9H,1H3,(H,17,22)
InChIKeyXCQYHZGTLAXGFH-UHFFFAOYSA-N
XLogP1.83
TPSA125.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide (CID 167947724) is 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide is COc1ccc(C(=O)Nc2ccnn2-c2ccc([N+](=O)[O-])cc2)nn1.
What is the InChIKey of 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide?
The InChIKey is XCQYHZGTLAXGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O4/c1-25-14-7-6-12(18-19-14)15(22)17-13-8-9-16-20(13)10-2-4-11(5-3-10)21(23)24/h2-9H,1H3,(H,17,22).
What are the key properties of 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide?
6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(4-nitrophenyl)pyrazol-3-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 167947724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).