3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide

C18H22N4O2 — CID 131919618

IUPAC3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
SMILESO=C(CCN1CCCC1=O)NC(Cn1cccn1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c23-17(9-13-21-11-4-8-18(21)24)20-16(14-22-12-5-10-19-22)15-6-2-1-3-7-15/h1-3,5-7,10,12,16H,4,8-9,11,13-14H2,(H,20,23)
InChIKeyXPYUCPMWCHDMLO-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.75
Rot. Bonds7

About 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide

3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide (PubChem CID 131919618) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
PubChem CID131919618
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide
SMILESO=C(CCN1CCCC1=O)NC(Cn1cccn1)c1ccccc1
InChIInChI=1S/C18H22N4O2/c23-17(9-13-21-11-4-8-18(21)24)20-16(14-22-12-5-10-19-22)15-6-2-1-3-7-15/h1-3,5-7,10,12,16H,4,8-9,11,13-14H2,(H,20,23)
InChIKeyXPYUCPMWCHDMLO-UHFFFAOYSA-N
XLogP1.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 94198507
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 91775636
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]propanamide
CID 55749749
2-amino-N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]acetamide;hydrochloride
CID 119287067
2-(2,4-dioxoimidazolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
CID 77094542
N-(2-methyl-1-phenylpropyl)-3-(2-oxoazepan-1-yl)propanamide
CID 131945632
N-[4-oxo-4-[[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]amino]butyl]cyclopropanecarboxamide
CID 55749883
N-(2-hydroxy-1-phenylethyl)-4-pyrazol-1-ylbutanamide
CID 91638874
N-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 126770678
N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 99617884
N-[(2R)-1-hydroxy-1,1-diphenylpropan-2-yl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 74246576
N-(3-hydroxy-3-phenylpropyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 111471868

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide (CID 131919618) is 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide is O=C(CCN1CCCC1=O)NC(Cn1cccn1)c1ccccc1.
What is the InChIKey of 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide?
The InChIKey is XPYUCPMWCHDMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17(9-13-21-11-4-8-18(21)24)20-16(14-22-12-5-10-19-22)15-6-2-1-3-7-15/h1-3,5-7,10,12,16H,4,8-9,11,13-14H2,(H,20,23).
What are the key properties of 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide?
3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopyrrolidin-1-yl)-N-(1-phenyl-2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 131919618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).