5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile

C16H14N6O — CID 139221998

IUPAC5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile
SMILESCOc1cccc(-c2cc(C)c(-n3ncc(C#N)c3N)nn2)c1
InChIInChI=1S/C16H14N6O/c1-10-6-14(11-4-3-5-13(7-11)23-2)20-21-16(10)22-15(18)12(8-17)9-19-22/h3-7,9H,18H2,1-2H3
InChIKeyOKUQFBOMGUSDMD-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.10
Rot. Bonds3

About 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile

5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile (PubChem CID 139221998) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile
PubChem CID139221998
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile
SMILESCOc1cccc(-c2cc(C)c(-n3ncc(C#N)c3N)nn2)c1
InChIInChI=1S/C16H14N6O/c1-10-6-14(11-4-3-5-13(7-11)23-2)20-21-16(10)22-15(18)12(8-17)9-19-22/h3-7,9H,18H2,1-2H3
InChIKeyOKUQFBOMGUSDMD-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

Analyze 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-amino-N'-[4-cyano-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazol-5-yl]methanimidamide
CID 139222005
5-amino-1-[6-(4-methoxy-3-methylphenyl)pyridazin-3-yl]pyrazole-4-carbonitrile
CID 82192593
5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonitrile
CID 2763873
2-(3-methoxyphenyl)-3-methylbenzonitrile
CID 172915337
N-[4-imino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]benzamide
CID 139222007
2-methoxy-5-(3-methoxyphenyl)-3-methylbenzonitrile
CID 171919375
5-amino-1-(6-methoxy-2-pyridinyl)pyrazole-4-carbonitrile
CID 57423269
3-methoxy-6-(3-methoxyphenyl)pyridazin-4-amine
CID 117127015
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909
4-amino-8-(3-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazine-3-carbonitrile
CID 30033155
4-(3-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 82114912
5-amino-2-(3-methoxyphenyl)benzonitrile
CID 171663277

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile (CID 139221998) is 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile is COc1cccc(-c2cc(C)c(-n3ncc(C#N)c3N)nn2)c1.
What is the InChIKey of 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile?
The InChIKey is OKUQFBOMGUSDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-10-6-14(11-4-3-5-13(7-11)23-2)20-21-16(10)22-15(18)12(8-17)9-19-22/h3-7,9H,18H2,1-2H3.
What are the key properties of 5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile?
5-amino-1-[6-(3-methoxyphenyl)-4-methylpyridazin-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-(3-methoxyphenyl)-4-methylpyridazin-3-yl]pyrazole-4-carbonitrile is sourced from PubChem (CID 139221998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).