ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate

C15H26N4O2 — CID 171810914

IUPACethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate
SMILESCC.CC.COC(=O)c1nn(C)cc1C1=CC(C)=CNN1
InChIInChI=1S/C11H14N4O2.2C2H6/c1-7-4-9(13-12-5-7)8-6-15(2)14-10(8)11(16)17-3;2*1-2/h4-6,12-13H,1-3H3;2*1-2H3
InChIKeyIJMIZZWVFTVJLZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.61
Rot. Bonds2

About ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate

ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate (PubChem CID 171810914) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate
PubChem CID171810914
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Nameethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate
SMILESCC.CC.COC(=O)c1nn(C)cc1C1=CC(C)=CNN1
InChIInChI=1S/C11H14N4O2.2C2H6/c1-7-4-9(13-12-5-7)8-6-15(2)14-10(8)11(16)17-3;2*1-2/h4-6,12-13H,1-3H3;2*1-2H3
InChIKeyIJMIZZWVFTVJLZ-UHFFFAOYSA-N
XLogP2.61
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate?
The IUPAC name of ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate (CID 171810914) is ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate.
What is the SMILES notation for ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate?
The canonical SMILES for ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate is CC.CC.COC(=O)c1nn(C)cc1C1=CC(C)=CNN1.
What is the InChIKey of ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate?
The InChIKey is IJMIZZWVFTVJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2.2C2H6/c1-7-4-9(13-12-5-7)8-6-15(2)14-10(8)11(16)17-3;2*1-2/h4-6,12-13H,1-3H3;2*1-2H3.
What are the key properties of ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate?
ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 1-methyl-4-(5-methyl-1,2-dihydropyridazin-3-yl)pyrazole-3-carboxylate is sourced from PubChem (CID 171810914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).