3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid

C12H20N4O3 — CID 19506557

IUPAC3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(C)CCCNC(=O)c1ccn(CCC(=O)O)n1
InChIInChI=1S/C12H20N4O3/c1-15(2)7-3-6-13-12(19)10-4-8-16(14-10)9-5-11(17)18/h4,8H,3,5-7,9H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyUNKBPRMCTQETFY-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.04
Rot. Bonds8

About 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid

3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19506557) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19506557
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(C)CCCNC(=O)c1ccn(CCC(=O)O)n1
InChIInChI=1S/C12H20N4O3/c1-15(2)7-3-6-13-12(19)10-4-8-16(14-10)9-5-11(17)18/h4,8H,3,5-7,9H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyUNKBPRMCTQETFY-UHFFFAOYSA-N
XLogP0.04
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(dimethylcarbamoyl)pyrazol-1-yl]pentanoic acid
CID 64777811
4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoic acid
CID 64780921
3-[3-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19623635
3-[3-[(4-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506568
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
3-[3-[(4-acetylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506493
N-(3-aminopropyl)-1-ethylpyrazole-3-carboxamide
CID 19621049
3-[3-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19506544
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
3-[3-[(1-benzylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506527
1-ethyl-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19262208

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid (CID 19506557) is 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid is CN(C)CCCNC(=O)c1ccn(CCC(=O)O)n1.
What is the InChIKey of 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is UNKBPRMCTQETFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-15(2)7-3-6-13-12(19)10-4-8-16(14-10)9-5-11(17)18/h4,8H,3,5-7,9H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid?
3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(dimethylamino)propylcarbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19506557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).