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

C13H24N4O2 — CID 102808860

IUPACmethyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate
SMILESCCC(CC)n1nc(N(C)CC)c(C(=O)OC)c1N
InChIInChI=1S/C13H24N4O2/c1-6-9(7-2)17-11(14)10(13(18)19-5)12(15-17)16(4)8-3/h9H,6-8,14H2,1-5H3
InChIKeyOHCKAODYEBHONP-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.07
Rot. Bonds6

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

methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate (PubChem CID 102808860) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate
PubChem CID102808860
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Namemethyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate
SMILESCCC(CC)n1nc(N(C)CC)c(C(=O)OC)c1N
InChIInChI=1S/C13H24N4O2/c1-6-9(7-2)17-11(14)10(13(18)19-5)12(15-17)16(4)8-3/h9H,6-8,14H2,1-5H3
InChIKeyOHCKAODYEBHONP-UHFFFAOYSA-N
XLogP2.07
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-1-cyclohexyl-3-[ethyl(methyl)amino]pyrazole-4-carboxylate
CID 102808760
methyl 5-amino-3-[ethyl(methyl)amino]-1-(2-hydroxycyclohexyl)pyrazole-4-carboxylate
CID 102809007
methyl 5-amino-3-(dimethylamino)-1-propylpyrazole-4-carboxylate
CID 102808706
methyl 5-amino-3-[ethyl(methyl)amino]-1-pyridazin-3-ylpyrazole-4-carboxylate
CID 103294179
methyl 5-amino-3-[ethyl(methyl)amino]-1-(3-fluorophenyl)pyrazole-4-carboxylate
CID 102808924
methyl 5-amino-3-(dimethylamino)-1-(2-hydroxyethyl)pyrazole-4-carboxylate
CID 102808136
methyl 5-amino-1-butan-2-yl-3-(methylamino)pyrazole-4-carboxylate
CID 102808854
methyl 5-amino-3-(diethylamino)-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 102808571
methyl 5-(methoxymethyl)-1-pentan-3-yltriazole-4-carboxylate
CID 102643761
methyl 5-amino-3-(diethylamino)-1H-pyrazole-4-carboxylate
CID 102808371
methyl 5-amino-4-ethyl-1-propan-2-ylpyrazole-3-carboxylate
CID 105465044
methyl 5-amino-1-butan-2-yl-3-(2,2,2-trifluoroethylamino)pyrazole-4-carboxylate
CID 102808835

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate (CID 102808860) is methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate is CCC(CC)n1nc(N(C)CC)c(C(=O)OC)c1N.
What is the InChIKey of methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate?
The InChIKey is OHCKAODYEBHONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-9(7-2)17-11(14)10(13(18)19-5)12(15-17)16(4)8-3/h9H,6-8,14H2,1-5H3.
What are the key properties of methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate?
methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate has a molecular weight of 268.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-[ethyl(methyl)amino]-1-pentan-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 102808860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).