3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

C12H8ClFN4O — CID 163361001

IUPAC3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(Cl)n[nH]c2cc1=O
InChIInChI=1S/C12H8ClFN4O/c1-6-3-2-4-7(14)11(6)18-9(19)5-8-10(17-18)12(13)16-15-8/h2-5,15H,1H3
InChIKeyKAQAQVRJMQMXND-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.21
Rot. Bonds1

About 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163361001) has the molecular formula C12H8ClFN4O and a molecular weight of 278.67 g/mol. Its IUPAC name is 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163361001
Molecular FormulaC12H8ClFN4O
Molecular Weight278.67 g/mol
Exact Mass278.04
IUPAC Name3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(Cl)n[nH]c2cc1=O
InChIInChI=1S/C12H8ClFN4O/c1-6-3-2-4-7(14)11(6)18-9(19)5-8-10(17-18)12(13)16-15-8/h2-5,15H,1H3
InChIKeyKAQAQVRJMQMXND-UHFFFAOYSA-N
XLogP2.21
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one 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

3-amino-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-6H-pyrazolo[4,3-c]pyridazin-6-one
CID 6412478
(4Z)-2-(4-fluorophenyl)-5-methyl-4-[[5-methyl-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one
CID 1222386
2-(4-fluorophenyl)-5-methyl-4-[[5-methyl-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one
CID 3382705
5-Amino-6-chloro-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 20513814
5-[Amino(methyl)amino]-4-chloro-2-[2-(trifluoromethyl)phenyl]pyridazin-3-one
CID 68132122
6-[3-(4-Fluorophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136350375
4-Methyl-6-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl chloride
CID 141494667
3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163289155
4-Chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carbonitrile
CID 163289174
3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163289179
Methyl 4-chloro-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 163360959
3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360966

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163361001) is 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2c(Cl)n[nH]c2cc1=O.
What is the InChIKey of 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is KAQAQVRJMQMXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN4O/c1-6-3-2-4-7(14)11(6)18-9(19)5-8-10(17-18)12(13)16-15-8/h2-5,15H,1H3.
What are the key properties of 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 278.67 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163361001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).