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

C16H19N3O3 — CID 19504138

IUPAC2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(NC(=O)c1ccn(C(C)C(=O)O)n1)c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-3-13(12-7-5-4-6-8-12)17-15(20)14-9-10-19(18-14)11(2)16(21)22/h4-11,13H,3H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyNAOUJUXZTHBWAA-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.41
Rot. Bonds6

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

2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 19504138) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
PubChem CID19504138
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
SMILESCCC(NC(=O)c1ccn(C(C)C(=O)O)n1)c1ccccc1
InChIInChI=1S/C16H19N3O3/c1-3-13(12-7-5-4-6-8-12)17-15(20)14-9-10-19(18-14)11(2)16(21)22/h4-11,13H,3H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyNAOUJUXZTHBWAA-UHFFFAOYSA-N
XLogP2.41
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19536946
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264560
2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623442
2-[3-(propylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623448
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119367836
2-[5-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19487542
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504136
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500181
6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid (CID 19504138) is 2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid is CCC(NC(=O)c1ccn(C(C)C(=O)O)n1)c1ccccc1.
What is the InChIKey of 2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is NAOUJUXZTHBWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-13(12-7-5-4-6-8-12)17-15(20)14-9-10-19(18-14)11(2)16(21)22/h4-11,13H,3H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid?
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 301.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 19504138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).