1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid

C18H18Cl2N2O4 — CID 175418628

IUPAC1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid
SMILESCC(C)c1cc(Oc2c(Cl)cc(C3(C(=O)O)CC3C)cc2Cl)n[nH]c1=O
InChIInChI=1S/C18H18Cl2N2O4/c1-8(2)11-6-14(21-22-16(11)23)26-15-12(19)4-10(5-13(15)20)18(17(24)25)7-9(18)3/h4-6,8-9H,7H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyUBGNFPVBUMASOD-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.35
Rot. Bonds5

About 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid

1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid (PubChem CID 175418628) has the molecular formula C18H18Cl2N2O4 and a molecular weight of 397.26 g/mol. Its IUPAC name is 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid
PubChem CID175418628
Molecular FormulaC18H18Cl2N2O4
Molecular Weight397.26 g/mol
Exact Mass396.06
IUPAC Name1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid
SMILESCC(C)c1cc(Oc2c(Cl)cc(C3(C(=O)O)CC3C)cc2Cl)n[nH]c1=O
InChIInChI=1S/C18H18Cl2N2O4/c1-8(2)11-6-14(21-22-16(11)23)26-15-12(19)4-10(5-13(15)20)18(17(24)25)7-9(18)3/h4-6,8-9H,7H2,1-3H3,(H,22,23)(H,24,25)
InChIKeyUBGNFPVBUMASOD-UHFFFAOYSA-N
XLogP4.35
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid 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 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid (CID 175418628) is 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid is CC(C)c1cc(Oc2c(Cl)cc(C3(C(=O)O)CC3C)cc2Cl)n[nH]c1=O.
What is the InChIKey of 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is UBGNFPVBUMASOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4/c1-8(2)11-6-14(21-22-16(11)23)26-15-12(19)4-10(5-13(15)20)18(17(24)25)7-9(18)3/h4-6,8-9H,7H2,1-3H3,(H,22,23)(H,24,25).
What are the key properties of 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid?
1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 397.26 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dichloro-4-[(6-oxo-5-propan-2-yl-1H-pyridazin-3-yl)oxy]phenyl]-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 175418628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).