3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

C19H25N5O — CID 120761777

IUPAC3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(N3C[C@@H](N)[C@H](c4ccccc4)C3)C2=O)n(C)n1
InChIInChI=1S/C19H25N5O/c1-13-10-18(22(2)21-13)24-9-8-17(19(24)25)23-11-15(16(20)12-23)14-6-4-3-5-7-14/h3-7,10,15-17H,8-9,11-12,20H2,1-2H3/t15-,16+,17?/m0/s1
InChIKeyWJRUHKWCKNEUSZ-RTKIROINSA-N
MW339.44 g/mol
LogP1.26
Rot. Bonds3

About 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one

3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 120761777) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID120761777
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one
SMILESCc1cc(N2CCC(N3C[C@@H](N)[C@H](c4ccccc4)C3)C2=O)n(C)n1
InChIInChI=1S/C19H25N5O/c1-13-10-18(22(2)21-13)24-9-8-17(19(24)25)23-11-15(16(20)12-23)14-6-4-3-5-7-14/h3-7,10,15-17H,8-9,11-12,20H2,1-2H3/t15-,16+,17?/m0/s1
InChIKeyWJRUHKWCKNEUSZ-RTKIROINSA-N
XLogP1.26
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one (CID 120761777) is 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is Cc1cc(N2CCC(N3C[C@@H](N)[C@H](c4ccccc4)C3)C2=O)n(C)n1.
What is the InChIKey of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is WJRUHKWCKNEUSZ-RTKIROINSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-10-18(22(2)21-13)24-9-8-17(19(24)25)23-11-15(16(20)12-23)14-6-4-3-5-7-14/h3-7,10,15-17H,8-9,11-12,20H2,1-2H3/t15-,16+,17?/m0/s1.
What are the key properties of 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one?
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 339.44 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-(2,5-dimethylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 120761777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).