1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid

C15H15N3O3 — CID 63005917

IUPAC1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C15H15N3O3/c19-14(17-9-6-12(10-17)15(20)21)11-2-4-13(5-3-11)18-8-1-7-16-18/h1-5,7-8,12H,6,9-10H2,(H,20,21)
InChIKeyHNBIHNQTEKMVSI-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.42
Rot. Bonds3

About 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid

1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63005917) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID63005917
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C15H15N3O3/c19-14(17-9-6-12(10-17)15(20)21)11-2-4-13(5-3-11)18-8-1-7-16-18/h1-5,7-8,12H,6,9-10H2,(H,20,21)
InChIKeyHNBIHNQTEKMVSI-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(3R)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125134650
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
(4-pyrazol-1-ylphenyl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 67389917
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid (CID 63005917) is 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HNBIHNQTEKMVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(17-9-6-12(10-17)15(20)21)11-2-4-13(5-3-11)18-8-1-7-16-18/h1-5,7-8,12H,6,9-10H2,(H,20,21).
What are the key properties of 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63005917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).