ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate

C10H16N4O3 — CID 64525088

IUPACethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H16N4O3/c1-3-17-9(15)4-5-14(2)10(16)7-6-8(11)13-12-7/h6H,3-5H2,1-2H3,(H3,11,12,13)
InChIKeyAOFULUORVPJTQB-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.02
Rot. Bonds5

About ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate

ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate (PubChem CID 64525088) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate
PubChem CID64525088
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nameethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H16N4O3/c1-3-17-9(15)4-5-14(2)10(16)7-6-8(11)13-12-7/h6H,3-5H2,1-2H3,(H3,11,12,13)
InChIKeyAOFULUORVPJTQB-UHFFFAOYSA-N
XLogP0.02
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-5-carboxamide
CID 64524057
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-5-carboxamide
CID 64524663
3-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64524072
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1H-pyrazole-5-carboxamide
CID 64524032
3-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523095
3-amino-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64525434
3-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 64523848
3-amino-N-cyclopropyl-N-propyl-1H-pyrazole-5-carboxamide
CID 64524026
ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
CID 103829871
ethyl 3-[[2-(1H-imidazol-2-yl)pyridine-4-carbonyl]-methylamino]propanoate
CID 167812597
1-(3-amino-1H-pyrazol-5-yl)propan-1-one
CID 143337628
ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate
CID 65358214

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate (CID 64525088) is ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate?
The InChIKey is AOFULUORVPJTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-17-9(15)4-5-14(2)10(16)7-6-8(11)13-12-7/h6H,3-5H2,1-2H3,(H3,11,12,13).
What are the key properties of ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate?
ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate has a molecular weight of 240.26 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-amino-1H-pyrazole-5-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 64525088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).