4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one

C14H12Cl2F3N3O2 — CID 2585229

IUPAC4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CC(F)(F)F
InChIInChI=1S/C14H12Cl2F3N3O2/c1-7-3-9(8(2)21(7)6-14(17,18)19)11(23)5-22-13(24)12(16)10(15)4-20-22/h3-4H,5-6H2,1-2H3
InChIKeyKNNBDLXNEJNNSQ-UHFFFAOYSA-N
MW382.17 g/mol
LogP3.41
Rot. Bonds4

About 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one

4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 2585229) has the molecular formula C14H12Cl2F3N3O2 and a molecular weight of 382.17 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID2585229
Molecular FormulaC14H12Cl2F3N3O2
Molecular Weight382.17 g/mol
Exact Mass381.03
IUPAC Name4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CC(F)(F)F
InChIInChI=1S/C14H12Cl2F3N3O2/c1-7-3-9(8(2)21(7)6-14(17,18)19)11(23)5-22-13(24)12(16)10(15)4-20-22/h3-4H,5-6H2,1-2H3
InChIKeyKNNBDLXNEJNNSQ-UHFFFAOYSA-N
XLogP3.41
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.17
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one (CID 2585229) is 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one is Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1CC(F)(F)F.
What is the InChIKey of 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is KNNBDLXNEJNNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F3N3O2/c1-7-3-9(8(2)21(7)6-14(17,18)19)11(23)5-22-13(24)12(16)10(15)4-20-22/h3-4H,5-6H2,1-2H3.
What are the key properties of 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 382.17 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 2585229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).