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

C15H15N3O3 — CID 129350524

IUPAC(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C15H15N3O3/c19-14(17-8-5-12(10-17)15(20)21)11-3-1-4-13(9-11)18-7-2-6-16-18/h1-4,6-7,9,12H,5,8,10H2,(H,20,21)/t12-/m1/s1
InChIKeyQXCRKXOYXFVFIA-GFCCVEGCSA-N
MW285.30 g/mol
LogP1.42
Rot. Bonds3

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

(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 129350524) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID129350524
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C15H15N3O3/c19-14(17-8-5-12(10-17)15(20)21)11-3-1-4-13(9-11)18-7-2-6-16-18/h1-4,6-7,9,12H,5,8,10H2,(H,20,21)/t12-/m1/s1
InChIKeyQXCRKXOYXFVFIA-GFCCVEGCSA-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

1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70745005
(3-pyrazol-1-ylphenyl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 70764717
[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 50969651
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid (CID 129350524) is (3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1.
What is the InChIKey of (3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QXCRKXOYXFVFIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(17-8-5-12(10-17)15(20)21)11-3-1-4-13(9-11)18-7-2-6-16-18/h1-4,6-7,9,12H,5,8,10H2,(H,20,21)/t12-/m1/s1.
What are the key properties of (3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(3-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 (3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129350524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).