(2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H26N4O2 — CID 110087437

IUPAC(2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCc2c(C)n[nH]c2C)[C@@H]1c1ccccc1C
InChIInChI=1S/C20H26N4O2/c1-5-24-18(25)10-16(19(24)15-9-7-6-8-12(15)2)20(26)21-11-17-13(3)22-23-14(17)4/h6-9,16,19H,5,10-11H2,1-4H3,(H,21,26)(H,22,23)/t16-,19+/m1/s1
InChIKeyYQYOCZQRXWUJKK-APWZRJJASA-N
MW354.45 g/mol
LogP2.56
Rot. Bonds5

About (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

(2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110087437) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110087437
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name(2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C(=O)C[C@@H](C(=O)NCc2c(C)n[nH]c2C)[C@@H]1c1ccccc1C
InChIInChI=1S/C20H26N4O2/c1-5-24-18(25)10-16(19(24)15-9-7-6-8-12(15)2)20(26)21-11-17-13(3)22-23-14(17)4/h6-9,16,19H,5,10-11H2,1-4H3,(H,21,26)(H,22,23)/t16-,19+/m1/s1
InChIKeyYQYOCZQRXWUJKK-APWZRJJASA-N
XLogP2.56
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 110087437) is (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CCN1C(=O)C[C@@H](C(=O)NCc2c(C)n[nH]c2C)[C@@H]1c1ccccc1C.
What is the InChIKey of (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YQYOCZQRXWUJKK-APWZRJJASA-N. The full InChI is InChI=1S/C20H26N4O2/c1-5-24-18(25)10-16(19(24)15-9-7-6-8-12(15)2)20(26)21-11-17-13(3)22-23-14(17)4/h6-9,16,19H,5,10-11H2,1-4H3,(H,21,26)(H,22,23)/t16-,19+/m1/s1.
What are the key properties of (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
(2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-ethyl-2-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110087437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).