ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate

C8H12N4O3 — CID 11321810

IUPACethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)CN)n[nH]1
InChIInChI=1S/C8H12N4O3/c1-2-15-8(14)5-3-6(12-11-5)10-7(13)4-9/h3H,2,4,9H2,1H3,(H2,10,11,12,13)
InChIKeyPVGLHZGDEFDNPD-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.52
Rot. Bonds4

About ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate

ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate (PubChem CID 11321810) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate
PubChem CID11321810
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Nameethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)CN)n[nH]1
InChIInChI=1S/C8H12N4O3/c1-2-15-8(14)5-3-6(12-11-5)10-7(13)4-9/h3H,2,4,9H2,1H3,(H2,10,11,12,13)
InChIKeyPVGLHZGDEFDNPD-UHFFFAOYSA-N
XLogP-0.52
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate (CID 11321810) is ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(NC(=O)CN)n[nH]1.
What is the InChIKey of ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate?
The InChIKey is PVGLHZGDEFDNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-2-15-8(14)5-3-6(12-11-5)10-7(13)4-9/h3H,2,4,9H2,1H3,(H2,10,11,12,13).
What are the key properties of ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate?
ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate has a molecular weight of 212.21 g/mol, XLogP of -0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-aminoacetyl)amino]-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 11321810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).