ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate

C15H21FN2O4 — CID 164914294

IUPACethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c(OCC2(F)CC2)cc1=O
InChIInChI=1S/C15H21FN2O4/c1-4-21-13(20)8-18-12(19)7-11(14(17-18)10(2)3)22-9-15(16)5-6-15/h7,10H,4-6,8-9H2,1-3H3
InChIKeyGFWVEGCKANEHKD-UHFFFAOYSA-N
MW312.34 g/mol
LogP1.81
Rot. Bonds7

About ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate

ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate (PubChem CID 164914294) has the molecular formula C15H21FN2O4 and a molecular weight of 312.34 g/mol. Its IUPAC name is ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
PubChem CID164914294
Molecular FormulaC15H21FN2O4
Molecular Weight312.34 g/mol
Exact Mass312.15
IUPAC Nameethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C(C)C)c(OCC2(F)CC2)cc1=O
InChIInChI=1S/C15H21FN2O4/c1-4-21-13(20)8-18-12(19)7-11(14(17-18)10(2)3)22-9-15(16)5-6-15/h7,10H,4-6,8-9H2,1-3H3
InChIKeyGFWVEGCKANEHKD-UHFFFAOYSA-N
XLogP1.81
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-[4-(2,2-difluoropropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914074
Ethyl 2-[6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]acetate
CID 164914098
2-[5-(Difluoromethyl)-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetic acid
CID 164914103
Ethyl 2-[4-(2-methylpropoxy)-6-oxo-3-propan-2-yl-5-(trifluoromethyl)pyridazin-1-yl]acetate
CID 164914161
Ethyl 2-[5-(difluoromethyl)-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914232
Ethyl 2-[5-chloro-6-oxo-3-propan-2-yl-4-(3,3,3-trifluoropropoxy)pyridazin-1-yl]acetate
CID 164914238
Ethyl 2-[5-chloro-6-oxo-3-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyridazin-1-yl]acetate
CID 164914246
2-[5-Fluoro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetic acid
CID 164914274
2-[4-(2-Methylpropoxy)-6-oxo-3-propan-2-yl-5-(trifluoromethyl)pyridazin-1-yl]acetic acid
CID 164914275
Ethyl 2-[5-fluoro-4-(2-methylpropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914295
Ethyl 2-[5-chloro-4-(2,2-difluoropropoxy)-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate
CID 164914316
Methyl 2-(4-methoxy-6-oxo-3-propan-2-ylpyridazin-1-yl)acetate
CID 162432212

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate (CID 164914294) is ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate is CCOC(=O)Cn1nc(C(C)C)c(OCC2(F)CC2)cc1=O.
What is the InChIKey of ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
The InChIKey is GFWVEGCKANEHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4/c1-4-21-13(20)8-18-12(19)7-11(14(17-18)10(2)3)22-9-15(16)5-6-15/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate?
ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate has a molecular weight of 312.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(1-fluorocyclopropyl)methoxy]-6-oxo-3-propan-2-ylpyridazin-1-yl]acetate is sourced from PubChem (CID 164914294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).