3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid

C15H16FN3O3 — CID 164527715

IUPAC3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid
SMILESCCc1ccnn1-c1cc(F)cc(C(=O)NCCC(=O)O)c1
InChIInChI=1S/C15H16FN3O3/c1-2-12-3-6-18-19(12)13-8-10(7-11(16)9-13)15(22)17-5-4-14(20)21/h3,6-9H,2,4-5H2,1H3,(H,17,22)(H,20,21)
InChIKeyGBAHEVYOOAUJKH-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.78
Rot. Bonds6

About 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid

3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid (PubChem CID 164527715) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid
PubChem CID164527715
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC Name3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid
SMILESCCc1ccnn1-c1cc(F)cc(C(=O)NCCC(=O)O)c1
InChIInChI=1S/C15H16FN3O3/c1-2-12-3-6-18-19(12)13-8-10(7-11(16)9-13)15(22)17-5-4-14(20)21/h3,6-9H,2,4-5H2,1H3,(H,17,22)(H,20,21)
InChIKeyGBAHEVYOOAUJKH-UHFFFAOYSA-N
XLogP1.78
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119176883
4-[(3,5-difluorobenzoyl)amino]butanoic acid
CID 16769702
3-[[3-(4-chloro-1-methylpyrazol-5-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527745
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
3-fluoro-5-[(2-imidazol-1-ylacetyl)amino]-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 176504765
3-[[3-[(Z)-2-amino-4-iminopent-2-en-3-yl]-5-fluorobenzoyl]amino]propanoic acid
CID 164527776
3-[[1-(3-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
CID 122089630
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
3-[[3-(4-pyridin-4-ylpiperazin-1-yl)benzoyl]amino]propanoic acid
CID 57289759
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid?
The IUPAC name of 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid (CID 164527715) is 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid is CCc1ccnn1-c1cc(F)cc(C(=O)NCCC(=O)O)c1.
What is the InChIKey of 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid?
The InChIKey is GBAHEVYOOAUJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-2-12-3-6-18-19(12)13-8-10(7-11(16)9-13)15(22)17-5-4-14(20)21/h3,6-9H,2,4-5H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid?
3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid has a molecular weight of 305.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-ethylpyrazol-1-yl)-5-fluorobenzoyl]amino]propanoic acid is sourced from PubChem (CID 164527715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).