1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide

C14H16N6O — CID 80506190

IUPAC1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide
SMILESCCc1nnc(-n2ccc(C(=O)NC)n2)c(C#N)c1CC
InChIInChI=1S/C14H16N6O/c1-4-9-10(8-15)13(18-17-11(9)5-2)20-7-6-12(19-20)14(21)16-3/h6-7H,4-5H2,1-3H3,(H,16,21)
InChIKeyOQFMXXOZLBRTNX-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.02
Rot. Bonds4

About 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide

1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 80506190) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide
PubChem CID80506190
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide
SMILESCCc1nnc(-n2ccc(C(=O)NC)n2)c(C#N)c1CC
InChIInChI=1S/C14H16N6O/c1-4-9-10(8-15)13(18-17-11(9)5-2)20-7-6-12(19-20)14(21)16-3/h6-7H,4-5H2,1-3H3,(H,16,21)
InChIKeyOQFMXXOZLBRTNX-UHFFFAOYSA-N
XLogP1.02
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyclopropylpyrazol-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510045
1-(4-cyano-5,6-diethylpyridazin-3-yl)pyrazole-4-carboxamide
CID 80509976
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
3-(3,4-dihydroxypyrrolidin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 106669370
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide
CID 80988908
2-[1-(4-cyano-5,6-diethylpyridazin-3-yl)azetidin-3-yl]propanoic acid
CID 116681863
N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80950267
1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 80868849
N-[1-(4-cyano-5,6-diethylpyridazin-3-yl)piperidin-4-yl]-2-fluorobenzamide
CID 133373932
3-(3,5-dioxopiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510131
5,6-diethyl-3-(4-nitropyrazol-1-yl)pyridazine-4-carbonitrile
CID 80510236
1-(6-chloro-4-cyano-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 83076446

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide (CID 80506190) is 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide is CCc1nnc(-n2ccc(C(=O)NC)n2)c(C#N)c1CC.
What is the InChIKey of 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is OQFMXXOZLBRTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-4-9-10(8-15)13(18-17-11(9)5-2)20-7-6-12(19-20)14(21)16-3/h6-7H,4-5H2,1-3H3,(H,16,21).
What are the key properties of 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide?
1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 80506190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).