(3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C20H19N5O2 — CID 42107632

IUPAC(3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1cnnn1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C20H19N5O2/c1-14-12-21-23-25(14)18-9-7-16(8-10-18)22-20(27)15-11-19(26)24(13-15)17-5-3-2-4-6-17/h2-10,12,15H,11,13H2,1H3,(H,22,27)/t15-/m0/s1
InChIKeyGOTUNHRTMGQTLC-HNNXBMFYSA-N
MW361.41 g/mol
LogP2.57
Rot. Bonds4

About (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

(3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 42107632) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID42107632
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name(3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCc1cnnn1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C20H19N5O2/c1-14-12-21-23-25(14)18-9-7-16(8-10-18)22-20(27)15-11-19(26)24(13-15)17-5-3-2-4-6-17/h2-10,12,15H,11,13H2,1H3,(H,22,27)/t15-/m0/s1
InChIKeyGOTUNHRTMGQTLC-HNNXBMFYSA-N
XLogP2.57
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 42107632) is (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is Cc1cnnn1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is GOTUNHRTMGQTLC-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14-12-21-23-25(14)18-9-7-16(8-10-18)22-20(27)15-11-19(26)24(13-15)17-5-3-2-4-6-17/h2-10,12,15H,11,13H2,1H3,(H,22,27)/t15-/m0/s1.
What are the key properties of (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
(3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-(5-methyltriazol-1-yl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 42107632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).