2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid

C8H11N3O3 — CID 19623442

IUPAC2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCNC(=O)c1ccn(C(C)C(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-5(8(13)14)11-4-3-6(10-11)7(12)9-2/h3-5H,1-2H3,(H,9,12)(H,13,14)
InChIKeyHMJAKIZESXFNNP-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.11
Rot. Bonds3

About 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid

2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19623442) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19623442
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCNC(=O)c1ccn(C(C)C(=O)O)n1
InChIInChI=1S/C8H11N3O3/c1-5(8(13)14)11-4-3-6(10-11)7(12)9-2/h3-5H,1-2H3,(H,9,12)(H,13,14)
InChIKeyHMJAKIZESXFNNP-UHFFFAOYSA-N
XLogP-0.11
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19623442) is 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid is CNC(=O)c1ccn(C(C)C(=O)O)n1.
What is the InChIKey of 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is HMJAKIZESXFNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-5(8(13)14)11-4-3-6(10-11)7(12)9-2/h3-5H,1-2H3,(H,9,12)(H,13,14).
What are the key properties of 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).