N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide

C20H23N5O3S — CID 7673300

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
SMILESO=C(NCCCN1CCCC1=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C20H23N5O3S/c26-17-8-4-10-24(17)11-5-9-21-19(27)20(28)22-18-15-12-29-13-16(15)23-25(18)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,21,27)(H,22,28)
InChIKeyDVLSNONBYLJKJA-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.69
Rot. Bonds6

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide (PubChem CID 7673300) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
PubChem CID7673300
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
SMILESO=C(NCCCN1CCCC1=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C20H23N5O3S/c26-17-8-4-10-24(17)11-5-9-21-19(27)20(28)22-18-15-12-29-13-16(15)23-25(18)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,21,27)(H,22,28)
InChIKeyDVLSNONBYLJKJA-UHFFFAOYSA-N
XLogP1.69
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
N'-[(2R)-butan-2-yl]-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
CID 7423844
N-butyl-N'-[2-(3-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7424044
2-chloro-N-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)acetamide
CID 5114556
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 44998685
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
N'-[(2S)-butan-2-yl]-N-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676237
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
N-(furan-2-ylmethyl)-N'-[2-(4-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]oxamide
CID 7676321
3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 46537628
N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 7424034
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide (CID 7673300) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide is O=C(NCCCN1CCCC1=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
The InChIKey is DVLSNONBYLJKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c26-17-8-4-10-24(17)11-5-9-21-19(27)20(28)22-18-15-12-29-13-16(15)23-25(18)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,21,27)(H,22,28).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide has a molecular weight of 413.50 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide is sourced from PubChem (CID 7673300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).