3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile

C21H24N6 — CID 133373058

IUPAC3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2c(C)nn(-c3ccccc3)c2C)c(C#N)c1CC
InChIInChI=1S/C21H24N6/c1-5-17-18(12-22)21(25-24-20(17)6-2)23-13-19-14(3)26-27(15(19)4)16-10-8-7-9-11-16/h7-11H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyJSRAEYQGJMTUSO-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.89
Rot. Bonds6

About 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile

3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 133373058) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID133373058
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCc2c(C)nn(-c3ccccc3)c2C)c(C#N)c1CC
InChIInChI=1S/C21H24N6/c1-5-17-18(12-22)21(25-24-20(17)6-2)23-13-19-14(3)26-27(15(19)4)16-10-8-7-9-11-16/h7-11H,5-6,13H2,1-4H3,(H,23,25)
InChIKeyJSRAEYQGJMTUSO-UHFFFAOYSA-N
XLogP3.89
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chlorophenyl)methylamino]-5,6-diethylpyridazine-4-carbonitrile
CID 80502090
5,6-diethyl-3-[(3-fluorophenyl)methylamino]pyridazine-4-carbonitrile
CID 80508640
5,6-diethyl-3-[(2-morpholin-4-ylphenyl)methylamino]pyridazine-4-carbonitrile
CID 133360375
2-cyano-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191234
5,6-diethyl-3-(pyrrol-1-ylamino)pyridazine-4-carbonitrile
CID 80514429
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 112840242
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
5,6-diethyl-3-(pyrazolo[1,5-a]pyrimidin-7-ylmethylamino)pyridazine-4-carbonitrile
CID 133439815
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019
3-(4-chloro-2-methylanilino)-5,6-diethylpyridazine-4-carbonitrile
CID 80508584
5,6-diethyl-3-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridazine-4-carbonitrile
CID 114694557
5,6-diethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methylamino]pyridazine-4-carbonitrile
CID 103757119

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile (CID 133373058) is 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NCc2c(C)nn(-c3ccccc3)c2C)c(C#N)c1CC.
What is the InChIKey of 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is JSRAEYQGJMTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-5-17-18(12-22)21(25-24-20(17)6-2)23-13-19-14(3)26-27(15(19)4)16-10-8-7-9-11-16/h7-11H,5-6,13H2,1-4H3,(H,23,25).
What are the key properties of 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile?
3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 360.47 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133373058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).