(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C20H25N5O2 — CID 120935424

IUPAC(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC1CC(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-13-8-18(20(27)25(13)15-6-4-3-5-7-15)23-19(26)17-11-21-10-16(17)14-9-22-24(2)12-14/h3-7,9,12-13,16-18,21H,8,10-11H2,1-2H3,(H,23,26)/t13?,16-,17+,18?/m1/s1
InChIKeyZUDVOLXYIDQMJP-NBIFXARBSA-N
MW367.45 g/mol
LogP1.03
Rot. Bonds4

About (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120935424) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120935424
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCC1CC(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)C(=O)N1c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-13-8-18(20(27)25(13)15-6-4-3-5-7-15)23-19(26)17-11-21-10-16(17)14-9-22-24(2)12-14/h3-7,9,12-13,16-18,21H,8,10-11H2,1-2H3,(H,23,26)/t13?,16-,17+,18?/m1/s1
InChIKeyZUDVOLXYIDQMJP-NBIFXARBSA-N
XLogP1.03
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120935424) is (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is CC1CC(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)C(=O)N1c1ccccc1.
What is the InChIKey of (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is ZUDVOLXYIDQMJP-NBIFXARBSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-8-18(20(27)25(13)15-6-4-3-5-7-15)23-19(26)17-11-21-10-16(17)14-9-22-24(2)12-14/h3-7,9,12-13,16-18,21H,8,10-11H2,1-2H3,(H,23,26)/t13?,16-,17+,18?/m1/s1.
What are the key properties of (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(5-methyl-2-oxo-1-phenylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120935424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).