5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide

C10H16N4O2 — CID 13414483

IUPAC5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1cnn(C)c1NC(C)=O
InChIInChI=1S/C10H16N4O2/c1-4-5-11-10(16)8-6-12-14(3)9(8)13-7(2)15/h6H,4-5H2,1-3H3,(H,11,16)(H,13,15)
InChIKeyGYNJSKNABGQYJJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.52
Rot. Bonds4

About 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide

5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide (PubChem CID 13414483) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide
PubChem CID13414483
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide
SMILESCCCNC(=O)c1cnn(C)c1NC(C)=O
InChIInChI=1S/C10H16N4O2/c1-4-5-11-10(16)8-6-12-14(3)9(8)13-7(2)15/h6H,4-5H2,1-3H3,(H,11,16)(H,13,15)
InChIKeyGYNJSKNABGQYJJ-UHFFFAOYSA-N
XLogP0.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide?
The IUPAC name of 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide (CID 13414483) is 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide is CCCNC(=O)c1cnn(C)c1NC(C)=O.
What is the InChIKey of 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide?
The InChIKey is GYNJSKNABGQYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-5-11-10(16)8-6-12-14(3)9(8)13-7(2)15/h6H,4-5H2,1-3H3,(H,11,16)(H,13,15).
What are the key properties of 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide?
5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-1-methyl-N-propylpyrazole-4-carboxamide is sourced from PubChem (CID 13414483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).