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

C9H10F3N3O3 — CID 43356193

IUPAC2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O3/c1-14(5-8(17)18)7(16)4-15-3-2-6(13-15)9(10,11)12/h2-3H,4-5H2,1H3,(H,17,18)
InChIKeyUDQFMKILAJUBGC-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.44
Rot. Bonds4

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

2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid (PubChem CID 43356193) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
PubChem CID43356193
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O3/c1-14(5-8(17)18)7(16)4-15-3-2-6(13-15)9(10,11)12/h2-3H,4-5H2,1H3,(H,17,18)
InChIKeyUDQFMKILAJUBGC-UHFFFAOYSA-N
XLogP0.44
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 2060883
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-(3-methylpyrazol-1-yl)ethanone
CID 4765832
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
Ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)acetate
CID 2064143
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
5-(Trifluoromethyl)-1H-pyrazole-1-acetic acid
CID 11127131
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 19616392
2-(3-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 66015345
(5-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 66971903
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

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid (CID 43356193) is 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
The InChIKey is UDQFMKILAJUBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-14(5-8(17)18)7(16)4-15-3-2-6(13-15)9(10,11)12/h2-3H,4-5H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid?
2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid has a molecular weight of 265.19 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 43356193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).