2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide

C19H24N4O2 — CID 75374677

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1ccn(-c2ccccc2)n1)N1CCCC1=O
InChIInChI=1S/C19H24N4O2/c1-2-17(22-13-6-9-18(22)24)19(25)20-12-10-15-11-14-23(21-15)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3,(H,20,25)
InChIKeyOYFRMTUWWPRTKG-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.93
Rot. Bonds7

About 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide

2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide (PubChem CID 75374677) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
PubChem CID75374677
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1ccn(-c2ccccc2)n1)N1CCCC1=O
InChIInChI=1S/C19H24N4O2/c1-2-17(22-13-6-9-18(22)24)19(25)20-12-10-15-11-14-23(21-15)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3,(H,20,25)
InChIKeyOYFRMTUWWPRTKG-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Acetamide, N-(1-phenylpyrazol-4-yl)-
CID 200720
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
N-{4-[acetyl(methyl)amino]phenyl}-1-ethyl-1H-pyrazole-3-carboxamide
CID 3238912
US10343992, Example 234
CID 122590732
(2S,3S)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxo-3-[4-(1H-pyrazol-1-yl)phenyl]butan-2-aminium; 2,2,2-trifluoroacetate
CID 91895811
N-(4-Acetamidophenyl)-3-(3-methyl-1H-pyrazol-1-YL)butanamide
CID 16026655
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16187839
1-[3-({[3-(4-fluorophenyl)-1-(4-methylphenyl)-1H-pyrazol-4-yl]methyl}amino)propyl]-2-pyrrolidinone
CID 16191024
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(1-phenyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 16192341
N-(3,4-difluorophenyl)-1-(1H-pyrazol-1-ylacetyl)-3-piperidinamine
CID 24790849
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)-4-(2-ketopyrrolidino)butyramide
CID 24817735
N-[1-(3-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 24818852

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide (CID 75374677) is 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide is CCC(C(=O)NCCc1ccn(-c2ccccc2)n1)N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
The InChIKey is OYFRMTUWWPRTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-17(22-13-6-9-18(22)24)19(25)20-12-10-15-11-14-23(21-15)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3,(H,20,25).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide has a molecular weight of 340.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 75374677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).