N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide

C18H19N5O3 — CID 58072390

IUPACN-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCON(C)C(=O)c1nn(-c2ccc(-n3cccn3)cc2C)cc(C)c1=O
InChIInChI=1S/C18H19N5O3/c1-12-10-14(22-9-5-8-19-22)6-7-15(12)23-11-13(2)17(24)16(20-23)18(25)21(3)26-4/h5-11H,1-4H3
InChIKeyYFVWVKFQIPJBEU-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.67
Rot. Bonds4

About N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide

N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 58072390) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide
PubChem CID58072390
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide
SMILESCON(C)C(=O)c1nn(-c2ccc(-n3cccn3)cc2C)cc(C)c1=O
InChIInChI=1S/C18H19N5O3/c1-12-10-14(22-9-5-8-19-22)6-7-15(12)23-11-13(2)17(24)16(20-23)18(25)21(3)26-4/h5-11H,1-4H3
InChIKeyYFVWVKFQIPJBEU-UHFFFAOYSA-N
XLogP1.67
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2,4-dimethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 63953612
3-[3-(dimethylamino)-2-methylprop-2-enoyl]-1-(2-fluoro-4-pyrazol-1-ylphenyl)-5-methoxypyridazin-4-one
CID 131745115
methyl 1-(3-bromo-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 107627497
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
1-(3-chloro-4-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63952624
1-(2,4-dimethylphenyl)pyrazole
CID 13066329
methyl 1-(4-bromo-3-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 107617183
methyl 1-(5-chloro-2-methylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 63952442
methyl 1-(4-bromo-2-ethylphenyl)-5-methyl-4-oxopyridazine-3-carboxylate
CID 81289323
3-[C-(2-aminoprop-1-enyl)-N-(3-chlorophenyl)carbonimidoyl]-1-(2-methyl-4-pyrazol-1-ylphenyl)pyridazin-4-one
CID 158033791
1-(4-bromo-2-chlorophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 63953833
1-(4-fluoro-2-iodophenyl)-5-methyl-4-oxopyridazine-3-carboxylic acid
CID 79771802

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide (CID 58072390) is N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide is CON(C)C(=O)c1nn(-c2ccc(-n3cccn3)cc2C)cc(C)c1=O.
What is the InChIKey of N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is YFVWVKFQIPJBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-10-14(22-9-5-8-19-22)6-7-15(12)23-11-13(2)17(24)16(20-23)18(25)21(3)26-4/h5-11H,1-4H3.
What are the key properties of N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide?
N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,5-dimethyl-1-(2-methyl-4-pyrazol-1-ylphenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 58072390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).