4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid

C6H9N3O3 — CID 118909286

IUPAC4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESCCN1N=C(C(=O)O)C(N)C1=O
InChIInChI=1S/C6H9N3O3/c1-2-9-5(10)3(7)4(8-9)6(11)12/h3H,2,7H2,1H3,(H,11,12)
InChIKeyRMBOGZNLULDZAN-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.38
Rot. Bonds2

About 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid

4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid (PubChem CID 118909286) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid
PubChem CID118909286
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid
SMILESCCN1N=C(C(=O)O)C(N)C1=O
InChIInChI=1S/C6H9N3O3/c1-2-9-5(10)3(7)4(8-9)6(11)12/h3H,2,7H2,1H3,(H,11,12)
InChIKeyRMBOGZNLULDZAN-UHFFFAOYSA-N
XLogP-1.38
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid?
The IUPAC name of 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid (CID 118909286) is 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid?
The canonical SMILES for 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid is CCN1N=C(C(=O)O)C(N)C1=O.
What is the InChIKey of 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid?
The InChIKey is RMBOGZNLULDZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-2-9-5(10)3(7)4(8-9)6(11)12/h3H,2,7H2,1H3,(H,11,12).
What are the key properties of 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid?
4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid has a molecular weight of 171.16 g/mol, XLogP of -1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-5-oxo-4H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 118909286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).