3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid

C12H14F3N3O3 — CID 102776035

IUPAC3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1C(=O)O
InChIInChI=1S/C12H14F3N3O3/c1-7-2-5-18(10(7)11(20)21)9(19)6-17-4-3-8(16-17)12(13,14)15/h3-4,7,10H,2,5-6H2,1H3,(H,20,21)
InChIKeyWEUPHALKYUKXCI-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.22
Rot. Bonds3

About 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 102776035) has the molecular formula C12H14F3N3O3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID102776035
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1C(=O)O
InChIInChI=1S/C12H14F3N3O3/c1-7-2-5-18(10(7)11(20)21)9(19)6-17-4-3-8(16-17)12(13,14)15/h3-4,7,10H,2,5-6H2,1H3,(H,20,21)
InChIKeyWEUPHALKYUKXCI-UHFFFAOYSA-N
XLogP1.22
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 43393908
(2S)-4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 61153712
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 43355789
1-[2-(hydroxymethyl)azepan-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 116635996
2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 64813881
1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 131962010
N-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115593407
2-fluoro-2-[1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidin-3-yl]acetic acid
CID 146143204
4-hydroxy-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
CID 119251468
1-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 128993663
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 55617707
1-[2-(4-fluorophenyl)sulfanylacetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775403

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid (CID 102776035) is 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WEUPHALKYUKXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-7-2-5-18(10(7)11(20)21)9(19)6-17-4-3-8(16-17)12(13,14)15/h3-4,7,10H,2,5-6H2,1H3,(H,20,21).
What are the key properties of 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 305.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102776035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).