2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

C24H28N4OS — CID 24791730

IUPAC2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCSc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C24H28N4OS/c1-18-5-3-4-6-22(18)24(29)26-23-11-14-25-28(23)20-12-15-27(16-13-20)17-19-7-9-21(30-2)10-8-19/h3-11,14,20H,12-13,15-17H2,1-2H3,(H,26,29)
InChIKeyFOQQTCAYCZAHAV-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.00
Rot. Bonds6

About 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide

2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24791730) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24791730
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCSc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1
InChIInChI=1S/C24H28N4OS/c1-18-5-3-4-6-22(18)24(29)26-23-11-14-25-28(23)20-12-15-27(16-13-20)17-19-7-9-21(30-2)10-8-19/h3-11,14,20H,12-13,15-17H2,1-2H3,(H,26,29)
InChIKeyFOQQTCAYCZAHAV-UHFFFAOYSA-N
XLogP5.00
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24791730) is 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is CSc1ccc(CN2CCC(n3nccc3NC(=O)c3ccccc3C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is FOQQTCAYCZAHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-18-5-3-4-6-22(18)24(29)26-23-11-14-25-28(23)20-12-15-27(16-13-20)17-19-7-9-21(30-2)10-8-19/h3-11,14,20H,12-13,15-17H2,1-2H3,(H,26,29).
What are the key properties of 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide?
2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 420.58 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24791730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).