2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid

C14H16N4O3 — CID 107273013

IUPAC2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid
SMILESNc1ccccc1CCC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C14H16N4O3/c15-12-4-2-1-3-10(12)5-6-13(19)17-11-7-16-18(8-11)9-14(20)21/h1-4,7-8H,5-6,9,15H2,(H,17,19)(H,20,21)
InChIKeyBTLZUWVWSXSFJW-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.12
Rot. Bonds6

About 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid

2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 107273013) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid
PubChem CID107273013
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid
SMILESNc1ccccc1CCC(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C14H16N4O3/c15-12-4-2-1-3-10(12)5-6-13(19)17-11-7-16-18(8-11)9-14(20)21/h1-4,7-8H,5-6,9,15H2,(H,17,19)(H,20,21)
InChIKeyBTLZUWVWSXSFJW-UHFFFAOYSA-N
XLogP1.12
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 61017720
3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 120611080
3-(2-aminophenyl)-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]propanamide;hydrochloride
CID 120611234
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
2-[4-(2-phenylethylcarbamoylamino)pyrazol-1-yl]acetic acid
CID 61191990
3-(2-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
2-[4-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]pyrazol-1-yl]acetic acid
CID 167748434
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886
3-[3-(2-aminophenyl)propanoylamino]benzoic acid
CID 107272917
2-[4-[[2-(2-hydroxyphenoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 61018494

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid (CID 107273013) is 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid is Nc1ccccc1CCC(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is BTLZUWVWSXSFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-12-4-2-1-3-10(12)5-6-13(19)17-11-7-16-18(8-11)9-14(20)21/h1-4,7-8H,5-6,9,15H2,(H,17,19)(H,20,21).
What are the key properties of 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid?
2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 288.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(2-aminophenyl)propanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 107273013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).