3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid

C14H21N3O5 — CID 19471172

IUPAC3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOC(=O)CCCCCNC(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C14H21N3O5/c1-22-13(20)5-3-2-4-7-15-14(21)11-9-16-17(10-11)8-6-12(18)19/h9-10H,2-8H2,1H3,(H,15,21)(H,18,19)
InChIKeyOLZCHNBQCFLMFP-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.82
Rot. Bonds10

About 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid

3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 19471172) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
PubChem CID19471172
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Name3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
SMILESCOC(=O)CCCCCNC(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C14H21N3O5/c1-22-13(20)5-3-2-4-7-15-14(21)11-9-16-17(10-11)8-6-12(18)19/h9-10H,2-8H2,1H3,(H,15,21)(H,18,19)
InChIKeyOLZCHNBQCFLMFP-UHFFFAOYSA-N
XLogP0.82
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]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

3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
7-[(1-benzylpyrazole-4-carbonyl)amino]heptanoic acid
CID 71943614
methyl 3-(4-carbamoylpyrazol-1-yl)propanoate
CID 50896619
N-(5-bromopentyl)-1-methylpyrazole-4-carboxamide
CID 107321851
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
3-[4-[(1-ethylpyrazol-4-yl)methylcarbamoyl]pyrazol-1-yl]propanoic acid
CID 19622220
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
methyl 7-[(4-acetylbenzoyl)amino]heptanoate
CID 163207825
3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
ethane;methyl 7-[[2-(N-phenylanilino)pyrimidine-5-carbonyl]amino]heptanoate;molecular hydrogen
CID 144754938
methyl 5-(4-formylpyrazol-1-yl)pentanoate
CID 165460763
methyl 4-benzamidobutanoate
CID 13197711

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid (CID 19471172) is 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid is COC(=O)CCCCCNC(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is OLZCHNBQCFLMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-22-13(20)5-3-2-4-7-15-14(21)11-9-16-17(10-11)8-6-12(18)19/h9-10H,2-8H2,1H3,(H,15,21)(H,18,19).
What are the key properties of 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 311.34 g/mol, XLogP of 0.82, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19471172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).