5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid

C11H17N3O3 — CID 64777811

IUPAC5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid
SMILESCN(C)C(=O)c1ccn(CCCCC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-13(2)11(17)9-6-8-14(12-9)7-4-3-5-10(15)16/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyRMRDBJDJMVGLQH-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.84
Rot. Bonds6

About 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid

5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid (PubChem CID 64777811) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid
PubChem CID64777811
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid
SMILESCN(C)C(=O)c1ccn(CCCCC(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-13(2)11(17)9-6-8-14(12-9)7-4-3-5-10(15)16/h6,8H,3-5,7H2,1-2H3,(H,15,16)
InChIKeyRMRDBJDJMVGLQH-UHFFFAOYSA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64780921
methyl 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoate
CID 64781303
3-[3-(dimethylcarbamoyl)pyrazol-1-yl]-2-hydroxy-2-methylpropanoic acid
CID 64781114
1-[2-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]triazole-4-carboxylic acid
CID 64777982
4-[3-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-1-yl]butanoic acid
CID 122171650
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506557
6-(3-iodopyrazol-1-yl)hexanoic acid
CID 79787121
5-[3-(4-methylphenyl)pyrazol-1-yl]pentanoic acid
CID 10945112
3-[3-[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19623624
2-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]-3,3,3-trifluoropropanoic acid
CID 80997392
3-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64781113
5-[[3-(dimethylcarbamoyl)pyrazol-1-yl]methyl]thiophene-2-carboxylic acid
CID 64780729

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid?
The IUPAC name of 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid (CID 64777811) is 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid?
The canonical SMILES for 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid is CN(C)C(=O)c1ccn(CCCCC(=O)O)n1.
What is the InChIKey of 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid?
The InChIKey is RMRDBJDJMVGLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13(2)11(17)9-6-8-14(12-9)7-4-3-5-10(15)16/h6,8H,3-5,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid?
5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid is sourced from PubChem (CID 64777811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).