1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one

C19H22N4O2 — CID 86808888

IUPAC1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C19H22N4O2/c24-18-7-3-9-23(18)10-4-8-20-12-15-13-21-22-19(15)17-11-14-5-1-2-6-16(14)25-17/h1-2,5-6,11,13,20H,3-4,7-10,12H2,(H,21,22)
InChIKeyWLJBWTYFPZINID-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.92
Rot. Bonds7

About 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one

1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 86808888) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
PubChem CID86808888
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCNCc1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C19H22N4O2/c24-18-7-3-9-23(18)10-4-8-20-12-15-13-21-22-19(15)17-11-14-5-1-2-6-16(14)25-17/h1-2,5-6,11,13,20H,3-4,7-10,12H2,(H,21,22)
InChIKeyWLJBWTYFPZINID-UHFFFAOYSA-N
XLogP2.92
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[3-(naphthalen-1-ylmethylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211895
1-[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]ethyl]azepan-2-one
CID 154775293
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-thiophen-2-ylethanamine
CID 25285777
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamine
CID 42290992
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-thiophen-2-ylmethanamine
CID 47611099
1-[3-(benzylamino)propyl]pyrrolidin-2-one;hydrochloride
CID 17211877
2-[[3-(2-oxopyrrolidin-1-yl)propylamino]methyl]benzoic acid
CID 17212317
N-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-ethylpiperidin-4-amine
CID 47611512
3-[[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]methyl]-N-propylbenzamide
CID 47617409
1-[(2S)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 94184895
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one (CID 86808888) is 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one is O=C1CCCN1CCCNCc1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is WLJBWTYFPZINID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-7-3-9-23(18)10-4-8-20-12-15-13-21-22-19(15)17-11-14-5-1-2-6-16(14)25-17/h1-2,5-6,11,13,20H,3-4,7-10,12H2,(H,21,22).
What are the key properties of 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one?
1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(1-benzofuran-2-yl)-1H-pyrazol-4-yl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 86808888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).