(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide

C19H24N4O2 — CID 95629604

IUPAC(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-3-7-16(14-8-5-4-6-9-14)18(24)21-17-10-11-23(19(17)25)15-12-20-22(2)13-15/h4-6,8-9,12-13,16-17H,3,7,10-11H2,1-2H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyUGMVZYJMGNCHDQ-DLBZAZTESA-N
MW340.43 g/mol
LogP2.23
Rot. Bonds6

About (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide

(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide (PubChem CID 95629604) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide
PubChem CID95629604
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide
SMILESCCC[C@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-3-7-16(14-8-5-4-6-9-14)18(24)21-17-10-11-23(19(17)25)15-12-20-22(2)13-15/h4-6,8-9,12-13,16-17H,3,7,10-11H2,1-2H3,(H,21,24)/t16-,17+/m0/s1
InChIKeyUGMVZYJMGNCHDQ-DLBZAZTESA-N
XLogP2.23
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide?
The IUPAC name of (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide (CID 95629604) is (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide.
What is the SMILES notation for (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide?
The canonical SMILES for (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide is CCC[C@H](C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1.
What is the InChIKey of (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide?
The InChIKey is UGMVZYJMGNCHDQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-7-16(14-8-5-4-6-9-14)18(24)21-17-10-11-23(19(17)25)15-12-20-22(2)13-15/h4-6,8-9,12-13,16-17H,3,7,10-11H2,1-2H3,(H,21,24)/t16-,17+/m0/s1.
What are the key properties of (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide?
(2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide has a molecular weight of 340.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-2-phenylpentanamide is sourced from PubChem (CID 95629604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).