ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate

C9H14N4O3 — CID 63103255

IUPACethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C9H14N4O3/c1-3-16-7(14)5-13(2)9(15)8-6(10)4-11-12-8/h4H,3,5,10H2,1-2H3,(H,11,12)
InChIKeyWZPBTCIZPNWFKO-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.37
Rot. Bonds4

About ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate

ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate (PubChem CID 63103255) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate
PubChem CID63103255
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Nameethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1[nH]ncc1N
InChIInChI=1S/C9H14N4O3/c1-3-16-7(14)5-13(2)9(15)8-6(10)4-11-12-8/h4H,3,5,10H2,1-2H3,(H,11,12)
InChIKeyWZPBTCIZPNWFKO-UHFFFAOYSA-N
XLogP-0.37
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate (CID 63103255) is ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1[nH]ncc1N.
What is the InChIKey of ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate?
The InChIKey is WZPBTCIZPNWFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-3-16-7(14)5-13(2)9(15)8-6(10)4-11-12-8/h4H,3,5,10H2,1-2H3,(H,11,12).
What are the key properties of ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate?
ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate has a molecular weight of 226.24 g/mol, XLogP of -0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)-methylamino]acetate is sourced from PubChem (CID 63103255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).