(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid

C12H17N3O3 — CID 78922396

IUPAC(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-8-6-9(2)15(13-8)7-11(16)14-5-3-4-10(14)12(17)18/h6,10H,3-5,7H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyFROBAFJAVAIRDQ-SNVBAGLBSA-N
MW251.29 g/mol
LogP0.58
Rot. Bonds3

About (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922396) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID78922396
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C12H17N3O3/c1-8-6-9(2)15(13-8)7-11(16)14-5-3-4-10(14)12(17)18/h6,10H,3-5,7H2,1-2H3,(H,17,18)/t10-/m1/s1
InChIKeyFROBAFJAVAIRDQ-SNVBAGLBSA-N
XLogP0.58
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 79833334
ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 75925786
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
2-(3,5-dimethylpyrazol-1-yl)-1-[2-(5-ethylfuran-2-yl)pyrrolidin-1-yl]ethanone
CID 136526405
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
(2S)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-2-carboxylic acid
CID 129382737
1-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methylpiperidine-2-carboxylic acid
CID 107069848
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
N-[[4-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107915
(2S)-1-[2-(6-methyl-3-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119364937
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 75421935
2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212538

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 78922396) is (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is Cc1cc(C)n(CC(=O)N2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FROBAFJAVAIRDQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-6-9(2)15(13-8)7-11(16)14-5-3-4-10(14)12(17)18/h6,10H,3-5,7H2,1-2H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).