4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide

C6H9N5O2 — CID 63106845

IUPAC4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)CNC(=O)c1[nH]ncc1N
InChIInChI=1S/C6H9N5O2/c7-3-1-10-11-5(3)6(13)9-2-4(8)12/h1H,2,7H2,(H2,8,12)(H,9,13)(H,10,11)
InChIKeyIPDTUHOHLLCEQV-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.79
Rot. Bonds3

About 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide

4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63106845) has the molecular formula C6H9N5O2 and a molecular weight of 183.17 g/mol. Its IUPAC name is 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide
PubChem CID63106845
Molecular FormulaC6H9N5O2
Molecular Weight183.17 g/mol
Exact Mass183.08
IUPAC Name4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)CNC(=O)c1[nH]ncc1N
InChIInChI=1S/C6H9N5O2/c7-3-1-10-11-5(3)6(13)9-2-4(8)12/h1H,2,7H2,(H2,8,12)(H,9,13)(H,10,11)
InChIKeyIPDTUHOHLLCEQV-UHFFFAOYSA-N
XLogP-1.79
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-1.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide (CID 63106845) is 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide is NC(=O)CNC(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IPDTUHOHLLCEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O2/c7-3-1-10-11-5(3)6(13)9-2-4(8)12/h1H,2,7H2,(H2,8,12)(H,9,13)(H,10,11).
What are the key properties of 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide?
4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 183.17 g/mol, XLogP of -1.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-amino-2-oxoethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63106845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).