2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid

C13H21N3O2 — CID 65071221

IUPAC2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CN1CCCC1(C)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-9-11(10(2)15(4)14-9)8-16-7-5-6-13(16,3)12(17)18/h5-8H2,1-4H3,(H,17,18)
InChIKeyGYLIHZTVNCSKFJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.48
Rot. Bonds3

About 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 65071221) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID65071221
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1nn(C)c(C)c1CN1CCCC1(C)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-9-11(10(2)15(4)14-9)8-16-7-5-6-13(16,3)12(17)18/h5-8H2,1-4H3,(H,17,18)
InChIKeyGYLIHZTVNCSKFJ-UHFFFAOYSA-N
XLogP1.48
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 79233219
3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 65068542
9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163314005
4-propyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 65065061
5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 63219492
2-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-2-carboxylic acid
CID 104595583
(2S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 28844021
2-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 104598717
(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid
CID 167294981
1-[(3-bromo-4-pyridinyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 136555618
1-pyrrolidin-1-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 60705236
2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 113431135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid (CID 65071221) is 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid is Cc1nn(C)c(C)c1CN1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GYLIHZTVNCSKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-11(10(2)15(4)14-9)8-16-7-5-6-13(16,3)12(17)18/h5-8H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65071221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).