2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile

C15H12ClN5O — CID 46887373

IUPAC2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile
SMILESCCn1nc(C#N)c2c(C)n(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C15H12ClN5O/c1-3-20-15(22)14-13(11(8-17)18-20)9(2)21(19-14)12-7-5-4-6-10(12)16/h4-7H,3H2,1-2H3
InChIKeyMPXVEVZADFNSIO-UHFFFAOYSA-N
MW313.75 g/mol
LogP2.44
Rot. Bonds2

About 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile

2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile (PubChem CID 46887373) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile
PubChem CID46887373
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile
SMILESCCn1nc(C#N)c2c(C)n(-c3ccccc3Cl)nc2c1=O
InChIInChI=1S/C15H12ClN5O/c1-3-20-15(22)14-13(11(8-17)18-20)9(2)21(19-14)12-7-5-4-6-10(12)16/h4-7H,3H2,1-2H3
InChIKeyMPXVEVZADFNSIO-UHFFFAOYSA-N
XLogP2.44
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1,5-bis(2-chlorophenyl)pyrazole-3-carbonitrile
CID 139674026
ethyl 5-amino-3-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-4-cyanothiophene-2-carboxylate
CID 39016533
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-(2-cyanoethyl)-N-methylacetamide
CID 46583611
2-(2-chlorophenyl)-6-methyl-3-oxopyridazine-4-carboxylic acid
CID 97058359
2-[1-(3-chloro-2-cyanophenyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 62496041
5-(2-chlorophenyl)-1-(2-ethylphenyl)triazole-4-carbonitrile
CID 94935754
2-[2-(2-chlorophenyl)-3-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2,3-dihydro-1H-indene-4-carbonitrile
CID 166845771
N-[2-(2-chlorophenyl)ethyl]-3-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)propanamide
CID 24789957
2-(2-chlorophenyl)-4-(difluoromethyl)-5-methyl-1,2,4-triazol-3-one
CID 19371922
2-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]acetaldehyde
CID 83896284
2-(2-chlorophenyl)-3-methyl-4-methylidenepyrazolo[3,4-d]pyridazin-7-one
CID 74586325
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
CID 117124675

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile?
The IUPAC name of 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile (CID 46887373) is 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile.
What is the SMILES notation for 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile?
The canonical SMILES for 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile is CCn1nc(C#N)c2c(C)n(-c3ccccc3Cl)nc2c1=O.
What is the InChIKey of 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile?
The InChIKey is MPXVEVZADFNSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c1-3-20-15(22)14-13(11(8-17)18-20)9(2)21(19-14)12-7-5-4-6-10(12)16/h4-7H,3H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile?
2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile has a molecular weight of 313.75 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6-ethyl-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carbonitrile is sourced from PubChem (CID 46887373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).