2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid

C7H9N3O4 — CID 57076367

IUPAC2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid
SMILESCC(=O)N(C)n1[nH]c(=O)cc1C(=O)O
InChIInChI=1S/C7H9N3O4/c1-4(11)9(2)10-5(7(13)14)3-6(12)8-10/h3H,1-2H3,(H,8,12)(H,13,14)
InChIKeyCNXTXOJSHBALJU-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.01
Rot. Bonds2

About 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid

2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid (PubChem CID 57076367) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid
PubChem CID57076367
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid
SMILESCC(=O)N(C)n1[nH]c(=O)cc1C(=O)O
InChIInChI=1S/C7H9N3O4/c1-4(11)9(2)10-5(7(13)14)3-6(12)8-10/h3H,1-2H3,(H,8,12)(H,13,14)
InChIKeyCNXTXOJSHBALJU-UHFFFAOYSA-N
XLogP-1.01
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid (CID 57076367) is 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid is CC(=O)N(C)n1[nH]c(=O)cc1C(=O)O.
What is the InChIKey of 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid?
The InChIKey is CNXTXOJSHBALJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-4(11)9(2)10-5(7(13)14)3-6(12)8-10/h3H,1-2H3,(H,8,12)(H,13,14).
What are the key properties of 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid?
2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid has a molecular weight of 199.17 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-5-oxo-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 57076367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).