methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate

C18H19N5O3 — CID 135308562

IUPACmethyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(N(C)C)cc2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C18H19N5O3/c1-21(2)13-7-5-12(6-8-13)16-9-15(18(25)26-4)17(24)23(20-16)14-10-19-22(3)11-14/h5-11H,1-4H3
InChIKeyZXWAWWDZPHBGLG-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.49
Rot. Bonds4

About methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate

methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate (PubChem CID 135308562) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate
PubChem CID135308562
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Namemethyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(N(C)C)cc2)nn(-c2cnn(C)c2)c1=O
InChIInChI=1S/C18H19N5O3/c1-21(2)13-7-5-12(6-8-13)16-9-15(18(25)26-4)17(24)23(20-16)14-10-19-22(3)11-14/h5-11H,1-4H3
InChIKeyZXWAWWDZPHBGLG-UHFFFAOYSA-N
XLogP1.49
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one
CID 156513153
6-(3,4-dimethylphenyl)-N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167518042
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxamide
CID 167517966
6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-oxopyridazine-4-carboxamide
CID 175278146
N-(1-amino-1-oxopropan-2-yl)-6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 167517948
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142411203
N-[(2S)-1-methoxypropan-2-yl]-2-(1-methylpyrazol-4-yl)-6-(4-methylsulfonylphenyl)-3-oxopyridazine-4-carboxamide
CID 167517940
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
6-(4-chlorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 135304175
N-[(2S)-3,3-difluoro-2-hydroxypropyl]-6-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 142410934
[2-[[6-(4-chlorophenyl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carbonyl]amino]-3-hydroxypropyl] dimethyl phosphate
CID 175278092
6-[4-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxamide
CID 155337552

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate?
The IUPAC name of methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate (CID 135308562) is methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate.
What is the SMILES notation for methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate?
The canonical SMILES for methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate is COC(=O)c1cc(-c2ccc(N(C)C)cc2)nn(-c2cnn(C)c2)c1=O.
What is the InChIKey of methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate?
The InChIKey is ZXWAWWDZPHBGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-21(2)13-7-5-12(6-8-13)16-9-15(18(25)26-4)17(24)23(20-16)14-10-19-22(3)11-14/h5-11H,1-4H3.
What are the key properties of methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate?
methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-(dimethylamino)phenyl]-2-(1-methylpyrazol-4-yl)-3-oxopyridazine-4-carboxylate is sourced from PubChem (CID 135308562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).