methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate

C12H16N6O2 — CID 103294179

IUPACmethyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate
SMILESCCN(C)c1nn(-c2cccnn2)c(N)c1C(=O)OC
InChIInChI=1S/C12H16N6O2/c1-4-17(2)11-9(12(19)20-3)10(13)18(16-11)8-6-5-7-14-15-8/h5-7H,4,13H2,1-3H3
InChIKeyNTBNJNAKGWETOV-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.49
Rot. Bonds4

About methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate

methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate (PubChem CID 103294179) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate
PubChem CID103294179
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Namemethyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate
SMILESCCN(C)c1nn(-c2cccnn2)c(N)c1C(=O)OC
InChIInChI=1S/C12H16N6O2/c1-4-17(2)11-9(12(19)20-3)10(13)18(16-11)8-6-5-7-14-15-8/h5-7H,4,13H2,1-3H3
InChIKeyNTBNJNAKGWETOV-UHFFFAOYSA-N
XLogP0.49
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate
CID 102808924
5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carbonitrile
CID 103294118
methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate
CID 102808860
methyl 5-amino-3-(diethylamino)-1-pyrimidin-4-ylpyrazole-4-carboxylate
CID 102809192
methyl 5-amino-3-(diethylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808571
5-amino-3-ethylsulfanyl-1-pyridazin-3-ylpyrazole-4-carboxylic acid
CID 103294132
methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
CID 102809007
methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
CID 102808760
methyl 4-bromo-5-propan-2-yl-1-pyridazin-3-ylpyrazole-3-carboxylate
CID 103293788
methyl 1-pyridazin-3-yltriazole-4-carboxylate
CID 16727590
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
methyl 5-amino-3-(2-methoxyethylamino)-1-phenylpyrazole-4-carboxylate
CID 102808106

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate (CID 103294179) is methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate is CCN(C)c1nn(-c2cccnn2)c(N)c1C(=O)OC.
What is the InChIKey of methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate?
The InChIKey is NTBNJNAKGWETOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-4-17(2)11-9(12(19)20-3)10(13)18(16-11)8-6-5-7-14-15-8/h5-7H,4,13H2,1-3H3.
What are the key properties of methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate?
methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 103294179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).