6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide

C24H26N4O2 — CID 71287832

IUPAC6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CCC(=O)NC3)nn2-c2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-2-7-17-8-6-9-18(14-17)21-15-22(27-28(21)20-10-4-3-5-11-20)26-24(30)19-12-13-23(29)25-16-19/h3-6,8-11,14-15,19H,2,7,12-13,16H2,1H3,(H,25,29)(H,26,27,30)
InChIKeyIVKHDFPMJYWBEM-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.96
Rot. Bonds6

About 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide

6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide (PubChem CID 71287832) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide
PubChem CID71287832
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide
SMILESCCCc1cccc(-c2cc(NC(=O)C3CCC(=O)NC3)nn2-c2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-2-7-17-8-6-9-18(14-17)21-15-22(27-28(21)20-10-4-3-5-11-20)26-24(30)19-12-13-23(29)25-16-19/h3-6,8-11,14-15,19H,2,7,12-13,16H2,1H3,(H,25,29)(H,26,27,30)
InChIKeyIVKHDFPMJYWBEM-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide (CID 71287832) is 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide is CCCc1cccc(-c2cc(NC(=O)C3CCC(=O)NC3)nn2-c2ccccc2)c1.
What is the InChIKey of 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide?
The InChIKey is IVKHDFPMJYWBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-2-7-17-8-6-9-18(14-17)21-15-22(27-28(21)20-10-4-3-5-11-20)26-24(30)19-12-13-23(29)25-16-19/h3-6,8-11,14-15,19H,2,7,12-13,16H2,1H3,(H,25,29)(H,26,27,30).
What are the key properties of 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide?
6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[1-phenyl-5-(3-propylphenyl)pyrazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71287832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).