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

C12H13N3O3S — CID 112691143

IUPACN-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
SMILESCc1cn[nH]c1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H13N3O3S/c1-8-7-13-15-11(8)14-12(16)9-4-3-5-10(6-9)19(2,17)18/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyLOTSEZJPWYOVPR-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.37
Rot. Bonds3

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

N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide (PubChem CID 112691143) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
PubChem CID112691143
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
SMILESCc1cn[nH]c1NC(=O)c1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C12H13N3O3S/c1-8-7-13-15-11(8)14-12(16)9-4-3-5-10(6-9)19(2,17)18/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyLOTSEZJPWYOVPR-UHFFFAOYSA-N
XLogP1.37
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methylsulfonyl-N-(1H-pyrazol-5-yl)benzamide
CID 60580034
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
3-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691434
4-chloro-N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide
CID 115629937
N-(5-amino-3-methyl-2-pyridinyl)-3-methylsulfonylbenzamide
CID 115910681
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320
N-(4-methyl-1H-pyrazol-5-yl)-3-propoxybenzamide
CID 112691324
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-bromo-3-methylsulfonylbenzamide
CID 174925666
3-methyl-5-[(3-methylsulfonylbenzoyl)amino]thiophene-2-carboxylic acid
CID 16770376

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide (CID 112691143) is N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide is Cc1cn[nH]c1NC(=O)c1cccc(S(C)(=O)=O)c1.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide?
The InChIKey is LOTSEZJPWYOVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-8-7-13-15-11(8)14-12(16)9-4-3-5-10(6-9)19(2,17)18/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide?
N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide has a molecular weight of 279.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 112691143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).