(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid

C15H15N3O3 — CID 78920096

IUPAC(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H15N3O3/c19-14(17-9-1-3-13(17)15(20)21)11-4-6-12(7-5-11)18-10-2-8-16-18/h2,4-8,10,13H,1,3,9H2,(H,20,21)/t13-/m1/s1
InChIKeyOQPDRHDDWMTNJN-CYBMUJFWSA-N
MW285.30 g/mol
LogP1.56
Rot. Bonds3

About (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78920096) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID78920096
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H15N3O3/c19-14(17-9-1-3-13(17)15(20)21)11-4-6-12(7-5-11)18-10-2-8-16-18/h2,4-8,10,13H,1,3,9H2,(H,20,21)/t13-/m1/s1
InChIKeyOQPDRHDDWMTNJN-CYBMUJFWSA-N
XLogP1.56
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 51663819
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 122107177
[2-(hydroxymethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 43421347
3-[(2R)-1-(4-pyrazol-1-ylbenzoyl)piperidin-2-yl]propanoic acid
CID 124701383
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidine-2-carboxylic acid
CID 119175959
(2S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidine-2-carboxylic acid
CID 124577082
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-(1-phenylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921319
(2R)-1-(4-formylbenzoyl)pyrrolidine-2-carboxylic acid
CID 170549555

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid (CID 78920096) is (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OQPDRHDDWMTNJN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(17-9-1-3-13(17)15(20)21)11-4-6-12(7-5-11)18-10-2-8-16-18/h2,4-8,10,13H,1,3,9H2,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78920096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).