N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C17H19N5O2 — CID 46988892

IUPACN-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cccc(Cn2nc(C)cc2NC(=O)C2=NNC(=O)CC2)c1
InChIInChI=1S/C17H19N5O2/c1-11-4-3-5-13(8-11)10-22-15(9-12(2)21-22)18-17(24)14-6-7-16(23)20-19-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,24)(H,20,23)
InChIKeyRWXMKWCLJPOBAL-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.75
Rot. Bonds4

About N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 46988892) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID46988892
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCc1cccc(Cn2nc(C)cc2NC(=O)C2=NNC(=O)CC2)c1
InChIInChI=1S/C17H19N5O2/c1-11-4-3-5-13(8-11)10-22-15(9-12(2)21-22)18-17(24)14-6-7-16(23)20-19-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,24)(H,20,23)
InChIKeyRWXMKWCLJPOBAL-UHFFFAOYSA-N
XLogP1.75
TPSA88.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110742749
2-chloro-N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19346727
N-(2-benzyl-5-methylpyrazol-3-yl)-2,6-dichloropyridine-3-carboxamide
CID 52762664
N-(2-benzyl-5-methylpyrazol-3-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 60571067
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60730194
N-(2-benzyl-5-methylpyrazol-3-yl)-2-(4-bromophenyl)acetamide
CID 35521241
N-(2-benzyl-5-methylpyrazol-3-yl)-4-bromopyrazolidine-3-carboxamide
CID 85498726
N-[2-(2-hydroxyethyl)-5-methylpyrazol-3-yl]-3-methylbenzamide
CID 110482972
N-(2-benzyl-5-methylpyrazol-3-yl)-5-chloro-2-iodobenzamide
CID 60553051
N-(2-benzyl-5-methylpyrazol-3-yl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 43052472
(2S)-N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 125166531

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 46988892) is N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is Cc1cccc(Cn2nc(C)cc2NC(=O)C2=NNC(=O)CC2)c1.
What is the InChIKey of N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is RWXMKWCLJPOBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-4-3-5-13(8-11)10-22-15(9-12(2)21-22)18-17(24)14-6-7-16(23)20-19-14/h3-5,8-9H,6-7,10H2,1-2H3,(H,18,24)(H,20,23).
What are the key properties of N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[(3-methylphenyl)methyl]pyrazol-3-yl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 46988892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).