ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate

C12H20N4O3 — CID 65358214

IUPACethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C12H20N4O3/c1-4-16-8-9(13)11(14-16)12(18)15(3)7-6-10(17)19-5-2/h8H,4-7,13H2,1-3H3
InChIKeyKPGKNUGRDYFLQP-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.51
Rot. Bonds6

About ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate

ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate (PubChem CID 65358214) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate
PubChem CID65358214
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Nameethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1nn(CC)cc1N
InChIInChI=1S/C12H20N4O3/c1-4-16-8-9(13)11(14-16)12(18)15(3)7-6-10(17)19-5-2/h8H,4-7,13H2,1-3H3
InChIKeyKPGKNUGRDYFLQP-UHFFFAOYSA-N
XLogP0.51
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
CID 65359090
ethyl 2-[(4-amino-1-ethylpyrazole-3-carbonyl)-(2-methylpropyl)amino]acetate
CID 65358337
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65358594
4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide
CID 65358116
4-amino-1-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 79476461
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65357964
4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
CID 114946837
4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 65358055
4-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65358130
ethyl 3-[(1-ethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 55040533
4-amino-1-ethyl-N-[2-[ethyl(methyl)amino]ethyl]pyrazole-3-carboxamide
CID 65357738
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-propylpyrazole-3-carboxamide
CID 65358051

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate (CID 65358214) is ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)c1nn(CC)cc1N.
What is the InChIKey of ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate?
The InChIKey is KPGKNUGRDYFLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-16-8-9(13)11(14-16)12(18)15(3)7-6-10(17)19-5-2/h8H,4-7,13H2,1-3H3.
What are the key properties of ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate?
ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate has a molecular weight of 268.32 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 65358214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).