5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide

C9H12N4O3 — CID 13350218

IUPAC5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide
SMILESCC(=O)NC(=O)c1cnn(C)c1NC(C)=O
InChIInChI=1S/C9H12N4O3/c1-5(14)11-8-7(4-10-13(8)3)9(16)12-6(2)15/h4H,1-3H3,(H,11,14)(H,12,15,16)
InChIKeyRUHULCNBAARSLR-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.35
Rot. Bonds2

About 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide

5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide (PubChem CID 13350218) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide
PubChem CID13350218
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide
SMILESCC(=O)NC(=O)c1cnn(C)c1NC(C)=O
InChIInChI=1S/C9H12N4O3/c1-5(14)11-8-7(4-10-13(8)3)9(16)12-6(2)15/h4H,1-3H3,(H,11,14)(H,12,15,16)
InChIKeyRUHULCNBAARSLR-UHFFFAOYSA-N
XLogP-0.35
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide (CID 13350218) is 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide is CC(=O)NC(=O)c1cnn(C)c1NC(C)=O.
What is the InChIKey of 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide?
The InChIKey is RUHULCNBAARSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5(14)11-8-7(4-10-13(8)3)9(16)12-6(2)15/h4H,1-3H3,(H,11,14)(H,12,15,16).
What are the key properties of 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide?
5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide has a molecular weight of 224.22 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-acetyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 13350218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).