2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

C24H26N4O2 — CID 89476717

IUPAC2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CC(=O)NC3C)nn2-c2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-3-8-17-9-7-10-18(13-17)21-15-22(27-28(21)19-11-5-4-6-12-19)26-24(30)20-14-23(29)25-16(20)2/h4-7,9-13,15-16,20H,3,8,14H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyVLITZOXPAMVUQW-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.95
Rot. Bonds6

About 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide

2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 89476717) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID89476717
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CC(=O)NC3C)nn2-c2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-3-8-17-9-7-10-18(13-17)21-15-22(27-28(21)19-11-5-4-6-12-19)26-24(30)20-14-23(29)25-16(20)2/h4-7,9-13,15-16,20H,3,8,14H2,1-2H3,(H,25,29)(H,26,27,30)
InChIKeyVLITZOXPAMVUQW-UHFFFAOYSA-N
XLogP3.95
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide (CID 89476717) is 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)C3CC(=O)NC3C)nn2-c2ccccc2)c1.
What is the InChIKey of 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is VLITZOXPAMVUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-3-8-17-9-7-10-18(13-17)21-15-22(27-28(21)19-11-5-4-6-12-19)26-24(30)20-14-23(29)25-16(20)2/h4-7,9-13,15-16,20H,3,8,14H2,1-2H3,(H,25,29)(H,26,27,30).
What are the key properties of 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide?
2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 89476717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).