5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile

C16H14N6O — CID 82192593

IUPAC5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
SMILESCOc1ccc(-c2ccc(-n3ncc(C#N)c3N)nn2)cc1C
InChIInChI=1S/C16H14N6O/c1-10-7-11(3-5-14(10)23-2)13-4-6-15(21-20-13)22-16(18)12(8-17)9-19-22/h3-7,9H,18H2,1-2H3
InChIKeyQCCMRQUHIVYQPH-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.10
Rot. Bonds3

About 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile

5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile (PubChem CID 82192593) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
PubChem CID82192593
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
SMILESCOc1ccc(-c2ccc(-n3ncc(C#N)c3N)nn2)cc1C
InChIInChI=1S/C16H14N6O/c1-10-7-11(3-5-14(10)23-2)13-4-6-15(21-20-13)22-16(18)12(8-17)9-19-22/h3-7,9H,18H2,1-2H3
InChIKeyQCCMRQUHIVYQPH-UHFFFAOYSA-N
XLogP2.10
TPSA102.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile
CID 139221998
[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]-methylcyanamide
CID 116973776
5-amino-1-[6-(5-amino-4-cyanopyrazol-1-yl)pyrimidin-4-yl]pyrazole-4-carbonitrile
CID 70646361
5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile
CID 57423269
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
5-amino-1-(6-chloropyrimidin-4-yl)pyrazole-4-carbonitrile
CID 56697544
5-amino-1-(2,6-dimethylpyrimidin-4-yl)pyrazole-4-carbonitrile
CID 79822220
5-amino-1-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)pyrazole-4-carbonitrile
CID 45035823
6-(4-methoxy-3-methylphenyl)-2-methylpyridin-3-amine
CID 82467710
2-(4-methoxy-3-methylphenyl)pyrimidin-5-amine
CID 62133352
2-(4-methoxy-3-methylphenyl)imidazo[1,5-b]pyridazin-5-amine
CID 82381285
5-amino-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazole-4-carbonitrile
CID 51053466

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile (CID 82192593) is 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile is COc1ccc(-c2ccc(-n3ncc(C#N)c3N)nn2)cc1C.
What is the InChIKey of 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is QCCMRQUHIVYQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-10-7-11(3-5-14(10)23-2)13-4-6-15(21-20-13)22-16(18)12(8-17)9-19-22/h3-7,9H,18H2,1-2H3.
What are the key properties of 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile?
5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 82192593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).