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

C14H12ClFN4O — CID 163360975

IUPAC3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCC(C)c1cccc(F)c1-n1nc2c(Cl)n[nH]c2cc1=O
InChIInChI=1S/C14H12ClFN4O/c1-7(2)8-4-3-5-9(16)13(8)20-11(21)6-10-12(19-20)14(15)18-17-10/h3-7,17H,1-2H3
InChIKeyVLNASNDYWKKURP-UHFFFAOYSA-N
MW306.73 g/mol
LogP3.02
Rot. Bonds2

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

3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163360975) has the molecular formula C14H12ClFN4O and a molecular weight of 306.73 g/mol. Its IUPAC name is 3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163360975
Molecular FormulaC14H12ClFN4O
Molecular Weight306.73 g/mol
Exact Mass306.07
IUPAC Name3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCC(C)c1cccc(F)c1-n1nc2c(Cl)n[nH]c2cc1=O
InChIInChI=1S/C14H12ClFN4O/c1-7(2)8-4-3-5-9(16)13(8)20-11(21)6-10-12(19-20)14(15)18-17-10/h3-7,17H,1-2H3
InChIKeyVLNASNDYWKKURP-UHFFFAOYSA-N
XLogP3.02
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360966
5-(2-Ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
CID 163360971
5-(2-Fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
CID 163360991
3-chloro-5-(2-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360999
3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163361001
Methyl 4-chloro-1-(2-fluoro-6-propan-2-ylphenyl)-6-oxopyridazine-3-carboxylate
CID 163361002
5-(2-Fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
CID 163361022
4-Amino-1-(2-fluoro-6-methylphenyl)-6-oxopyridazine-3-carboximidamide
CID 167062256
1-Bromo-5-(2-fluoro-6-methylphenyl)pyrazolo[4,3-c]pyridazin-6-one
CID 175238802

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163360975) is 3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is CC(C)c1cccc(F)c1-n1nc2c(Cl)n[nH]c2cc1=O.
What is the InChIKey of 3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is VLNASNDYWKKURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O/c1-7(2)8-4-3-5-9(16)13(8)20-11(21)6-10-12(19-20)14(15)18-17-10/h3-7,17H,1-2H3.
What are the key properties of 3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 306.73 g/mol, XLogP of 3.02, 2 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-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163360975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).