4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide

C18H18N4OS — CID 119041851

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)nc1
InChIInChI=1S/C18H18N4OS/c1-12-10-13(2)22(21-12)15-6-4-14(5-7-15)18(23)20-17-9-8-16(24-3)11-19-17/h4-11H,1-3H3,(H,19,20,23)
InChIKeySXUUIIDHVIAHFA-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.86
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide (PubChem CID 119041851) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide
PubChem CID119041851
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide
SMILESCSc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)nc1
InChIInChI=1S/C18H18N4OS/c1-12-10-13(2)22(21-12)15-6-4-14(5-7-15)18(23)20-17-9-8-16(24-3)11-19-17/h4-11H,1-3H3,(H,19,20,23)
InChIKeySXUUIIDHVIAHFA-UHFFFAOYSA-N
XLogP3.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 75394297
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
N-(4-bromophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4862154
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919513
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78837818
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
4-(3,5-dimethylpyrazol-1-yl)-N-imidazo[1,2-a]pyrazin-3-ylbenzamide
CID 146153633
4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide
CID 9110177
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
6-chloro-N-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 46107107

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide (CID 119041851) is 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide is CSc1ccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)nc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide?
The InChIKey is SXUUIIDHVIAHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-10-13(2)22(21-12)15-6-4-14(5-7-15)18(23)20-17-9-8-16(24-3)11-19-17/h4-11H,1-3H3,(H,19,20,23).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide has a molecular weight of 338.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(5-methylsulfanyl-2-pyridinyl)benzamide is sourced from PubChem (CID 119041851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).