2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

C14H13Cl2FN2O2 — CID 90434535

IUPAC2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCOc1cc(-c2c(F)n3n(c2=O)CCCC3)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2FN2O2/c1-21-11-6-8(9(15)7-10(11)16)12-13(17)18-4-2-3-5-19(18)14(12)20/h6-7H,2-5H2,1H3
InChIKeyCVVPILDGITWMKL-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.57
Rot. Bonds2

About 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (PubChem CID 90434535) has the molecular formula C14H13Cl2FN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.

Molecular Properties

Compound Name2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
PubChem CID90434535
Molecular FormulaC14H13Cl2FN2O2
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
SMILESCOc1cc(-c2c(F)n3n(c2=O)CCCC3)c(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2FN2O2/c1-21-11-6-8(9(15)7-10(11)16)12-13(17)18-4-2-3-5-19(18)14(12)20/h6-7H,2-5H2,1H3
InChIKeyCVVPILDGITWMKL-UHFFFAOYSA-N
XLogP3.57
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one with MolForge

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Related Compounds

3-(2,4-Dichloro-5-methoxyphenyl)-1-methyl-6-trifluoromethyl-2-oxo-1,2-dihydropyrazine
CID 19365531
5-(2,4-Dichloro-5-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 67722995
1-Chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434376
1-Chloro-2-(4-chloro-2-fluoro-5-hydroxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434377
1-Chloro-2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434379
2-(5-But-3-yn-2-yloxy-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434380
1-chloro-2-[4-chloro-2-fluoro-5-[(2E)-6-methyl-2-propoxyhepta-2,6-dienoxy]phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434386
1-Chloro-2-(4-fluoro-3-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434406
propyl (E)-4-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenoxy]-3-ethoxybut-2-enoate
CID 90434408
1-Chloro-2-[4-chloro-2-fluoro-5-(2-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434411
1-Chloro-2-[4-chloro-2-fluoro-5-(2-methylprop-2-enoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434415
1-Chloro-2-[4-chloro-2-fluoro-5-(4-fluoro-2-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
CID 90434417

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The IUPAC name of 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one (CID 90434535) is 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one.
What is the SMILES notation for 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The canonical SMILES for 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is COc1cc(-c2c(F)n3n(c2=O)CCCC3)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
The InChIKey is CVVPILDGITWMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O2/c1-21-11-6-8(9(15)7-10(11)16)12-13(17)18-4-2-3-5-19(18)14(12)20/h6-7H,2-5H2,1H3.
What are the key properties of 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one?
2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one has a molecular weight of 331.17 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-methoxyphenyl)-1-fluoro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one is sourced from PubChem (CID 90434535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).