2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide

C21H26N4O2 — CID 24791208

IUPAC2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESC=CCCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C21H26N4O2/c1-3-4-9-20(26)24-14-11-17(12-15-24)25-19(10-13-22-25)23-21(27)18-8-6-5-7-16(18)2/h3,5-8,10,13,17H,1,4,9,11-12,14-15H2,2H3,(H,23,27)
InChIKeyDCDFSMUKWQTWBE-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.57
Rot. Bonds6

About 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide

2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide (PubChem CID 24791208) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide
PubChem CID24791208
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide
SMILESC=CCCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1
InChIInChI=1S/C21H26N4O2/c1-3-4-9-20(26)24-14-11-17(12-15-24)25-19(10-13-22-25)23-21(27)18-8-6-5-7-16(18)2/h3,5-8,10,13,17H,1,4,9,11-12,14-15H2,2H3,(H,23,27)
InChIKeyDCDFSMUKWQTWBE-UHFFFAOYSA-N
XLogP3.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide (CID 24791208) is 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide is C=CCCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide?
The InChIKey is DCDFSMUKWQTWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-4-9-20(26)24-14-11-17(12-15-24)25-19(10-13-22-25)23-21(27)18-8-6-5-7-16(18)2/h3,5-8,10,13,17H,1,4,9,11-12,14-15H2,2H3,(H,23,27).
What are the key properties of 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide?
2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide has a molecular weight of 366.47 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-pent-4-enoylpiperidin-4-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 24791208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).