ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate

C13H16N4O2 — CID 139300329

IUPACethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(-n2nc(C)cc2C)cc1C
InChIInChI=1S/C13H16N4O2/c1-5-19-13(18)12-8(2)6-11(14-15-12)17-10(4)7-9(3)16-17/h6-7H,5H2,1-4H3
InChIKeyNHRBFKZMXOFWMN-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.76
Rot. Bonds3

About ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate

ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate (PubChem CID 139300329) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate
PubChem CID139300329
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Nameethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate
SMILESCCOC(=O)c1nnc(-n2nc(C)cc2C)cc1C
InChIInChI=1S/C13H16N4O2/c1-5-19-13(18)12-8(2)6-11(14-15-12)17-10(4)7-9(3)16-17/h6-7H,5H2,1-4H3
InChIKeyNHRBFKZMXOFWMN-UHFFFAOYSA-N
XLogP1.76
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate?
The IUPAC name of ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate (CID 139300329) is ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate is CCOC(=O)c1nnc(-n2nc(C)cc2C)cc1C.
What is the InChIKey of ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate?
The InChIKey is NHRBFKZMXOFWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-5-19-13(18)12-8(2)6-11(14-15-12)17-10(4)7-9(3)16-17/h6-7H,5H2,1-4H3.
What are the key properties of ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate?
ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridazine-3-carboxylate is sourced from PubChem (CID 139300329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).