ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate

C18H25N5O3 — CID 6625053

IUPACethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate
SMILESCCOC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C
InChIInChI=1S/C18H25N5O3/c1-4-26-18(24)8-5-15-13(2)21-23(14(15)3)17-7-6-16(19-20-17)22-9-11-25-12-10-22/h6-7H,4-5,8-12H2,1-3H3
InChIKeyJIRTZEJBSNSXMU-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.61
Rot. Bonds6

About ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate

ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate (PubChem CID 6625053) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate
PubChem CID6625053
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Nameethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate
SMILESCCOC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C
InChIInChI=1S/C18H25N5O3/c1-4-26-18(24)8-5-15-13(2)21-23(14(15)3)17-7-6-16(19-20-17)22-9-11-25-12-10-22/h6-7H,4-5,8-12H2,1-3H3
InChIKeyJIRTZEJBSNSXMU-UHFFFAOYSA-N
XLogP1.61
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate (CID 6625053) is ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate is CCOC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C.
What is the InChIKey of ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The InChIKey is JIRTZEJBSNSXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-4-26-18(24)8-5-15-13(2)21-23(14(15)3)17-7-6-16(19-20-17)22-9-11-25-12-10-22/h6-7H,4-5,8-12H2,1-3H3.
What are the key properties of ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate?
ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate has a molecular weight of 359.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanoate is sourced from PubChem (CID 6625053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).