ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate

C15H20N4O2 — CID 62084720

IUPACethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate
SMILESCCOC(=O)C(C)c1c(C)nn(-c2ccc(C)nn2)c1C
InChIInChI=1S/C15H20N4O2/c1-6-21-15(20)10(3)14-11(4)18-19(12(14)5)13-8-7-9(2)16-17-13/h7-8,10H,6H2,1-5H3
InChIKeyHLHGGDZHXGUOHS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.25
Rot. Bonds4

About ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate

ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate (PubChem CID 62084720) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate
PubChem CID62084720
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate
SMILESCCOC(=O)C(C)c1c(C)nn(-c2ccc(C)nn2)c1C
InChIInChI=1S/C15H20N4O2/c1-6-21-15(20)10(3)14-11(4)18-19(12(14)5)13-8-7-9(2)16-17-13/h7-8,10H,6H2,1-5H3
InChIKeyHLHGGDZHXGUOHS-UHFFFAOYSA-N
XLogP2.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 81833027
CID 81833027
CID 136618024
CID 136618024
CID 139300329
CID 139300329
CID 178790969
CID 178790969
CID 754739
CID 754739
CID 12665787
CID 12665787
CID 60652892
CID 60652892
CID 61381107
CID 61381107
CID 61632006
CID 61632006
CID 61632193
CID 61632193
CID 61632336
CID 61632336
CID 61655649
CID 61655649

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The IUPAC name of ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate (CID 62084720) is ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate.
What is the SMILES notation for ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The canonical SMILES for ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate is CCOC(=O)C(C)c1c(C)nn(-c2ccc(C)nn2)c1C.
What is the InChIKey of ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate?
The InChIKey is HLHGGDZHXGUOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-6-21-15(20)10(3)14-11(4)18-19(12(14)5)13-8-7-9(2)16-17-13/h7-8,10H,6H2,1-5H3.
What are the key properties of ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate?
ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate has a molecular weight of 288.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3,5-dimethyl-1-(6-methylpyridazin-3-yl)pyrazol-4-yl]propanoate is sourced from PubChem (CID 62084720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).