3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid

C9H10F3N3O3 — CID 43170633

IUPAC3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)6-2-4-15(14-6)5-7(16)13-3-1-8(17)18/h2,4H,1,3,5H2,(H,13,16)(H,17,18)
InChIKeyYZHGRDROZOQJNW-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.49
Rot. Bonds5

About 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid

3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid (PubChem CID 43170633) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
PubChem CID43170633
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O3/c10-9(11,12)6-2-4-15(14-6)5-7(16)13-3-1-8(17)18/h2,4H,1,3,5H2,(H,13,16)(H,17,18)
InChIKeyYZHGRDROZOQJNW-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
1-[5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 3659554
methyl (2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807998
N-(2-sulfanylethyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 177679812
3-sulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 177680730
3-sulfanyl-N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]propanamide
CID 177680795
2-amino-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid hydrochloride
CID 75480514
N-(2-aminoethyl)-2-(5-methyl-1H-pyrazol-1-yl)acetamide
CID 7017753
n-(Tert-pentyl)-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 45794451
(3S)-3-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 100243078
(3S)-3-ethyl-4-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-1,4-diazepan-2-one
CID 136587005
N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide
CID 19587970

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid (CID 43170633) is 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid is O=C(O)CCNC(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid?
The InChIKey is YZHGRDROZOQJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c10-9(11,12)6-2-4-15(14-6)5-7(16)13-3-1-8(17)18/h2,4H,1,3,5H2,(H,13,16)(H,17,18).
What are the key properties of 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid?
3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid has a molecular weight of 265.19 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 43170633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).