4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

C23H20N4OS — CID 46669066

IUPAC4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1
InChIInChI=1S/C23H20N4OS/c1-17-12-14-25-27(17)21-8-4-19(5-9-21)23(28)26-20-6-10-22(11-7-20)29-16-18-3-2-13-24-15-18/h2-15H,16H2,1H3,(H,26,28)
InChIKeyIVCZHTTVDXOWFJ-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.12
Rot. Bonds6

About 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide

4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (PubChem CID 46669066) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
PubChem CID46669066
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide
SMILESCc1ccnn1-c1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1
InChIInChI=1S/C23H20N4OS/c1-17-12-14-25-27(17)21-8-4-19(5-9-21)23(28)26-20-6-10-22(11-7-20)29-16-18-3-2-13-24-15-18/h2-15H,16H2,1H3,(H,26,28)
InChIKeyIVCZHTTVDXOWFJ-UHFFFAOYSA-N
XLogP5.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 37024627
5,7-dimethyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39985596
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 55847896
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyrazine-2-carboxamide
CID 24644970
N-(3-bromophenyl)-4-(pyridin-3-ylmethylsulfanyl)benzamide
CID 38885627
5-methyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-benzofuran-2-carboxamide
CID 55929053
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 34425101
N,N-diethyl-4-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]benzamide
CID 9047752
9-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]fluorene-2-carboxamide
CID 24620063
N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 17423774
N-(4-ethoxyphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9043122
1-ethyl-3-methyl-2-oxo-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]quinoxaline-6-carboxamide
CID 36542675

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The IUPAC name of 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide (CID 46669066) is 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is Cc1ccnn1-c1ccc(C(=O)Nc2ccc(SCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
The InChIKey is IVCZHTTVDXOWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c1-17-12-14-25-27(17)21-8-4-19(5-9-21)23(28)26-20-6-10-22(11-7-20)29-16-18-3-2-13-24-15-18/h2-15H,16H2,1H3,(H,26,28).
What are the key properties of 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide?
4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide has a molecular weight of 400.51 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrazol-1-yl)-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 46669066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).