N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide

C23H24N4O2 — CID 24816950

IUPACN-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c28-21-13-7-15-26(21)16-8-14-24-23(29)20-17-27(19-11-5-2-6-12-19)25-22(20)18-9-3-1-4-10-18/h1-6,9-12,17H,7-8,13-16H2,(H,24,29)
InChIKeyBYGRICSHGUCLFK-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.28
Rot. Bonds7

About N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide

N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide (PubChem CID 24816950) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
PubChem CID24816950
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H24N4O2/c28-21-13-7-15-26(21)16-8-14-24-23(29)20-17-27(19-11-5-2-6-12-19)25-22(20)18-9-3-1-4-10-18/h1-6,9-12,17H,7-8,13-16H2,(H,24,29)
InChIKeyBYGRICSHGUCLFK-UHFFFAOYSA-N
XLogP3.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide (CID 24816950) is N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide is O=C(NCCCN1CCCC1=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
The InChIKey is BYGRICSHGUCLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21-13-7-15-26(21)16-8-14-24-23(29)20-17-27(19-11-5-2-6-12-19)25-22(20)18-9-3-1-4-10-18/h1-6,9-12,17H,7-8,13-16H2,(H,24,29).
What are the key properties of N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide?
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-diphenylpyrazole-4-carboxamide is sourced from PubChem (CID 24816950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).