1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide

C20H26N4O2 — CID 25162469

IUPAC1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C20H26N4O2/c1-15-19(16(2)24(22-15)14-17-8-4-3-5-9-17)20(26)21-11-7-13-23-12-6-10-18(23)25/h3-5,8-9H,6-7,10-14H2,1-2H3,(H,21,26)
InChIKeyBPMCVHNQKDAXEH-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.29
Rot. Bonds7

About 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide

1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide (PubChem CID 25162469) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
PubChem CID25162469
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C20H26N4O2/c1-15-19(16(2)24(22-15)14-17-8-4-3-5-9-17)20(26)21-11-7-13-23-12-6-10-18(23)25/h3-5,8-9H,6-7,10-14H2,1-2H3,(H,21,26)
InChIKeyBPMCVHNQKDAXEH-UHFFFAOYSA-N
XLogP2.29
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.29
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 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide (CID 25162469) is 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
The InChIKey is BPMCVHNQKDAXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-19(16(2)24(22-15)14-17-8-4-3-5-9-17)20(26)21-11-7-13-23-12-6-10-18(23)25/h3-5,8-9H,6-7,10-14H2,1-2H3,(H,21,26).
What are the key properties of 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide?
1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide is sourced from PubChem (CID 25162469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).