1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid

C8H10N4O4 — CID 19624260

IUPAC1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESNC(=O)CNC(=O)Cn1ccc(C(=O)O)n1
InChIInChI=1S/C8H10N4O4/c9-6(13)3-10-7(14)4-12-2-1-5(11-12)8(15)16/h1-2H,3-4H2,(H2,9,13)(H,10,14)(H,15,16)
InChIKeyWJKQLRWNBQXBAX-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.82
Rot. Bonds5

About 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid

1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19624260) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19624260
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESNC(=O)CNC(=O)Cn1ccc(C(=O)O)n1
InChIInChI=1S/C8H10N4O4/c9-6(13)3-10-7(14)4-12-2-1-5(11-12)8(15)16/h1-2H,3-4H2,(H2,9,13)(H,10,14)(H,15,16)
InChIKeyWJKQLRWNBQXBAX-UHFFFAOYSA-N
XLogP-1.82
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19624260) is 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid is NC(=O)CNC(=O)Cn1ccc(C(=O)O)n1.
What is the InChIKey of 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is WJKQLRWNBQXBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c9-6(13)3-10-7(14)4-12-2-1-5(11-12)8(15)16/h1-2H,3-4H2,(H2,9,13)(H,10,14)(H,15,16).
What are the key properties of 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 226.19 g/mol, XLogP of -1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19624260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).