N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide

C19H24N4O2 — CID 97261974

IUPACN-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
SMILESCN1C(=O)C[C@@H](CNC(=O)CCCn2cccn2)[C@H]1c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-22-18(25)13-16(19(22)15-7-3-2-4-8-15)14-20-17(24)9-5-11-23-12-6-10-21-23/h2-4,6-8,10,12,16,19H,5,9,11,13-14H2,1H3,(H,20,24)/t16-,19+/m0/s1
InChIKeyDZNQOIJZNJPKCJ-QFBILLFUSA-N
MW340.43 g/mol
LogP2.00
Rot. Bonds7

About N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide

N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide (PubChem CID 97261974) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
PubChem CID97261974
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide
SMILESCN1C(=O)C[C@@H](CNC(=O)CCCn2cccn2)[C@H]1c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-22-18(25)13-16(19(22)15-7-3-2-4-8-15)14-20-17(24)9-5-11-23-12-6-10-21-23/h2-4,6-8,10,12,16,19H,5,9,11,13-14H2,1H3,(H,20,24)/t16-,19+/m0/s1
InChIKeyDZNQOIJZNJPKCJ-QFBILLFUSA-N
XLogP2.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide with MolForge

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Related Compounds

1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide
CID 95737976
N-[[(2S,3R)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-3-(3-but-3-ynyldiazirin-3-yl)propanamide
CID 166423322
N-[[(2R,3S)-2-(1-benzylpyrazol-4-yl)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-cyclobutylacetamide
CID 128966649
(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95301325
4-[(4-pyrazol-1-ylbutanoylamino)methyl]benzoic acid
CID 119353286
2-[[ethylamino-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035158
5-methyl-1-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123684
N,N-dimethyl-2-[[[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methylamino]-(propylamino)methylidene]amino]acetamide
CID 110035637
4-methoxy-N-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]naphthalene-1-carboxamide
CID 75451387
1,3-diethyl-2-[(1-methyl-5-oxo-2-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110017679
(2R)-N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 97261954

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide (CID 97261974) is N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide is CN1C(=O)C[C@@H](CNC(=O)CCCn2cccn2)[C@H]1c1ccccc1.
What is the InChIKey of N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is DZNQOIJZNJPKCJ-QFBILLFUSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-18(25)13-16(19(22)15-7-3-2-4-8-15)14-20-17(24)9-5-11-23-12-6-10-21-23/h2-4,6-8,10,12,16,19H,5,9,11,13-14H2,1H3,(H,20,24)/t16-,19+/m0/s1.
What are the key properties of N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide?
N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 340.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S)-1-methyl-5-oxo-2-phenylpyrrolidin-3-yl]methyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97261974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).