N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide

C13H15N3O3S — CID 115594880

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
SMILESCc1[nH]nc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1C
InChIInChI=1S/C13H15N3O3S/c1-8-9(2)15-16-12(8)14-13(17)10-5-4-6-11(7-10)20(3,18)19/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyOFNPJFZUDWLSLY-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.68
Rot. Bonds3

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide (PubChem CID 115594880) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
PubChem CID115594880
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
SMILESCc1[nH]nc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1C
InChIInChI=1S/C13H15N3O3S/c1-8-9(2)15-16-12(8)14-13(17)10-5-4-6-11(7-10)20(3,18)19/h4-7H,1-3H3,(H2,14,15,16,17)
InChIKeyOFNPJFZUDWLSLY-UHFFFAOYSA-N
XLogP1.68
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898
N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 112691143
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide
CID 60580034
N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
CID 115910681
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 112696158
N-(3-hydroxy-2-methylphenyl)-3-methylsulfonylbenzamide
CID 64792707
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-(1H-imidazol-2-yl)-3-methylsulfonylbenzamide
CID 60968772
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 115610262

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide (CID 115594880) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide is Cc1[nH]nc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide?
The InChIKey is OFNPJFZUDWLSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8-9(2)15-16-12(8)14-13(17)10-5-4-6-11(7-10)20(3,18)19/h4-7H,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide has a molecular weight of 293.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 115594880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).