6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

C20H23N5O3 — CID 167518042

IUPAC6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C20H23N5O3/c1-13-5-6-15(9-14(13)2)18-10-17(19(26)21-7-8-28-4)20(27)25(23-18)16-11-22-24(3)12-16/h5-6,9-12H,7-8H2,1-4H3,(H,21,26)
InChIKeyZDTPJMUSYDFDRY-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.63
Rot. Bonds6

About 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide

6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (PubChem CID 167518042) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
PubChem CID167518042
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C20H23N5O3/c1-13-5-6-15(9-14(13)2)18-10-17(19(26)21-7-8-28-4)20(27)25(23-18)16-11-22-24(3)12-16/h5-6,9-12H,7-8H2,1-4H3,(H,21,26)
InChIKeyZDTPJMUSYDFDRY-UHFFFAOYSA-N
XLogP1.63
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxamide
CID 167517966
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-(4-methylsulfonylphenyl)-3-oxopyridazine-4-carboxamide
CID 167517940
N-[(2S)-3,3-difluoro-2-hydroxypropyl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142410934
6-(2-aminoquinolin-6-yl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517953
6-(4-tert-butylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide;6-(4-ethylphenyl)-N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517932
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142411203
N-(2-hydroxy-2-methylpropyl)-2-(1-methylpyrazol-4-yl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 142411212
4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 156513153
methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate
CID 135308562
N-(3-fluoro-2-hydroxypropyl)-2-(1-methylpyrazol-4-yl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135303743
6-[4-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 155337552
N-[(2R)-1-hydroxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxo-6-[4-(trifluoromethyl)phenyl]pyridazine-4-carboxamide
CID 135304788

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide (CID 167518042) is 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is COCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nn(-c2cnn(C)c2)c1=O.
What is the InChIKey of 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
The InChIKey is ZDTPJMUSYDFDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-5-6-15(9-14(13)2)18-10-17(19(26)21-7-8-28-4)20(27)25(23-18)16-11-22-24(3)12-16/h5-6,9-12H,7-8H2,1-4H3,(H,21,26).
What are the key properties of 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide?
6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 167518042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).