3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 79139700

IUPAC3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Cc2ccn[nH]2)C1
InChIInChI=1S/C13H19N3O3/c1-2-4-13(12(18)19)5-7-16(9-13)11(17)8-10-3-6-14-15-10/h3,6H,2,4-5,7-9H2,1H3,(H,14,15)(H,18,19)
InChIKeyNLYHZFPBQYSTSQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.06
Rot. Bonds5

About 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid

3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 79139700) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID79139700
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)Cc2ccn[nH]2)C1
InChIInChI=1S/C13H19N3O3/c1-2-4-13(12(18)19)5-7-16(9-13)11(17)8-10-3-6-14-15-10/h3,6H,2,4-5,7-9H2,1H3,(H,14,15)(H,18,19)
InChIKeyNLYHZFPBQYSTSQ-UHFFFAOYSA-N
XLogP1.06
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145188
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 80706631
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
1-[2-(3-bromophenyl)acetyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63146140
3-ethyl-1-(2-pyridin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63146595
1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 84579292
1-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147373
1-[3-(methylamino)propanoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63145151
3-propyl-1-(2-pyrazin-2-ylacetyl)piperidine-3-carboxylic acid
CID 70710542
2-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]piperidine-2-carboxylic acid
CID 104594818
2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid
CID 102657225
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 79139700) is 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)Cc2ccn[nH]2)C1.
What is the InChIKey of 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NLYHZFPBQYSTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-4-13(12(18)19)5-7-16(9-13)11(17)8-10-3-6-14-15-10/h3,6H,2,4-5,7-9H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid?
3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-[2-(1H-pyrazol-5-yl)acetyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79139700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).