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

C12H14F3N3O3 — CID 63146433

IUPAC3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H14F3N3O3/c1-11(10(20)21)3-5-17(7-11)9(19)6-18-4-2-8(16-18)12(13,14)15/h2,4H,3,5-7H2,1H3,(H,20,21)
InChIKeyHHAMGXAOCMLKSK-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.23
Rot. Bonds3

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

3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 63146433) 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-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
PubChem CID63146433
Molecular FormulaC12H14F3N3O3
Molecular Weight305.26 g/mol
Exact Mass305.10
IUPAC Name3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C12H14F3N3O3/c1-11(10(20)21)3-5-17(7-11)9(19)6-18-4-2-8(16-18)12(13,14)15/h2,4H,3,5-7H2,1H3,(H,20,21)
InChIKeyHHAMGXAOCMLKSK-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[[(3R)-oxolan-3-yl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 93619946
3-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CID 43670351
1-Methyl-5-(trifluoromethyl)pyrazole;2-oxopyrrolidine-3-carboxylic acid
CID 154673436
1-Methyl-2-oxopyrrolidine-3-carboxylic acid;1-methyl-5-(trifluoromethyl)pyrazole
CID 154673448
3-Methyl-4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
CID 174764083
3-Methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 43170372
3-[[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]amino]propanoic acid
CID 43170633
3-[[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 43172661
1-[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-4-carboxylic acid
CID 43354136
4-[[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]amino]butanoic acid
CID 43354981
1-[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 43355512
1-[2-[3-(Trifluoromethyl)pyrazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 43355789

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid (CID 63146433) is 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Cn2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is HHAMGXAOCMLKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O3/c1-11(10(20)21)3-5-17(7-11)9(19)6-18-4-2-8(16-18)12(13,14)15/h2,4H,3,5-7H2,1H3,(H,20,21).
What are the key properties of 3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 305.26 g/mol, XLogP of 1.23, 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-3-carboxylic acid is sourced from PubChem (CID 63146433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).