methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate

C18H18F2N2O3 — CID 162432292

IUPACmethyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(n2nc(C(C)C)c(-c3cc(F)cc(F)c3)cc2=O)CC1
InChIInChI=1S/C18H18F2N2O3/c1-10(2)16-14(11-6-12(19)8-13(20)7-11)9-15(23)22(21-16)18(4-5-18)17(24)25-3/h6-10H,4-5H2,1-3H3
InChIKeySVJOZIYXIRGKHJ-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.97
Rot. Bonds4

About methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate

methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate (PubChem CID 162432292) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate
PubChem CID162432292
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Namemethyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(n2nc(C(C)C)c(-c3cc(F)cc(F)c3)cc2=O)CC1
InChIInChI=1S/C18H18F2N2O3/c1-10(2)16-14(11-6-12(19)8-13(20)7-11)9-15(23)22(21-16)18(4-5-18)17(24)25-3/h6-10H,4-5H2,1-3H3
InChIKeySVJOZIYXIRGKHJ-UHFFFAOYSA-N
XLogP2.97
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate 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 methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate (CID 162432292) is methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate is COC(=O)C1(n2nc(C(C)C)c(-c3cc(F)cc(F)c3)cc2=O)CC1.
What is the InChIKey of methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate?
The InChIKey is SVJOZIYXIRGKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-10(2)16-14(11-6-12(19)8-13(20)7-11)9-15(23)22(21-16)18(4-5-18)17(24)25-3/h6-10H,4-5H2,1-3H3.
What are the key properties of methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate?
methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate has a molecular weight of 348.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(3,5-difluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 162432292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).