(3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid

C15H15N3O3 — CID 95142649

IUPAC(3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(Cc2ccccc2-n2cccn2)C1
InChIInChI=1S/C15H15N3O3/c19-14-8-12(15(20)21)10-17(14)9-11-4-1-2-5-13(11)18-7-3-6-16-18/h1-7,12H,8-10H2,(H,20,21)/t12-/m0/s1
InChIKeyFFMPKTIXVPMJIC-LBPRGKRZSA-N
MW285.30 g/mol
LogP1.31
Rot. Bonds4

About (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid

(3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 95142649) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID95142649
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CC(=O)N(Cc2ccccc2-n2cccn2)C1
InChIInChI=1S/C15H15N3O3/c19-14-8-12(15(20)21)10-17(14)9-11-4-1-2-5-13(11)18-7-3-6-16-18/h1-7,12H,8-10H2,(H,20,21)/t12-/m0/s1
InChIKeyFFMPKTIXVPMJIC-LBPRGKRZSA-N
XLogP1.31
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168703040
4-amino-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168700270
1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192525
1-(1H-indazol-4-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691481
1-(2,1,3-benzoxadiazol-4-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691482
(3S)-1-(cyclohexylmethyl)-6-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 25379201
(3S)-1-benzyl-5-oxo-N-(3-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 92627923
1-(1-benzothiophen-3-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51087745
methyl 1-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 168694285
1-cyclopentyl-N-methyl-5-oxo-N-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 70721590
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106033262
1-[(1-benzylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691484

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid (CID 95142649) is (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CC(=O)N(Cc2ccccc2-n2cccn2)C1.
What is the InChIKey of (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is FFMPKTIXVPMJIC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14-8-12(15(20)21)10-17(14)9-11-4-1-2-5-13(11)18-7-3-6-16-18/h1-7,12H,8-10H2,(H,20,21)/t12-/m0/s1.
What are the key properties of (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid?
(3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-[(2-pyrazol-1-ylphenyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 95142649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).