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

C9H13N3O3 — CID 19623443

IUPAC2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C9H13N3O3/c1-6(9(14)15)12-5-4-7(10-12)8(13)11(2)3/h4-6H,1-3H3,(H,14,15)
InChIKeyYQMPETOXRPDLOH-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.23
Rot. Bonds3

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

2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19623443) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19623443
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCC(C(=O)O)n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C9H13N3O3/c1-6(9(14)15)12-5-4-7(10-12)8(13)11(2)3/h4-6H,1-3H3,(H,14,15)
InChIKeyYQMPETOXRPDLOH-UHFFFAOYSA-N
XLogP0.23
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19623443) is 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid is CC(C(=O)O)n1ccc(C(=O)N(C)C)n1.
What is the InChIKey of 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is YQMPETOXRPDLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6(9(14)15)12-5-4-7(10-12)8(13)11(2)3/h4-6H,1-3H3,(H,14,15).
What are the key properties of 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19623443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).