N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide

C12H13N3OS — CID 18152524

IUPACN-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H13N3OS/c1-15-8-7-11(14-15)13-12(16)9-5-3-4-6-10(9)17-2/h3-8H,1-2H3,(H,13,14,16)
InChIKeyUJTDQXOWWWXMKM-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.39
Rot. Bonds3

About N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide

N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide (PubChem CID 18152524) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide
PubChem CID18152524
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H13N3OS/c1-15-8-7-11(14-15)13-12(16)9-5-3-4-6-10(9)17-2/h3-8H,1-2H3,(H,13,14,16)
InChIKeyUJTDQXOWWWXMKM-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide (CID 18152524) is N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)Nc1ccn(C)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide?
The InChIKey is UJTDQXOWWWXMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15-8-7-11(14-15)13-12(16)9-5-3-4-6-10(9)17-2/h3-8H,1-2H3,(H,13,14,16).
What are the key properties of N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide?
N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide has a molecular weight of 247.32 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-2-methylsulfanylbenzamide is sourced from PubChem (CID 18152524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).