N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide

C18H17N3OS — CID 70826272

IUPACN-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide
SMILESCc1ccc(-c2[nH]nc(NC(=O)c3cccc(S)c3)c2C)cc1
InChIInChI=1S/C18H17N3OS/c1-11-6-8-13(9-7-11)16-12(2)17(21-20-16)19-18(22)14-4-3-5-15(23)10-14/h3-10,23H,1-2H3,(H2,19,20,21,22)
InChIKeyAMVYKDMVOBFLOY-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.23
Rot. Bonds3

About N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide

N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide (PubChem CID 70826272) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide
PubChem CID70826272
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide
SMILESCc1ccc(-c2[nH]nc(NC(=O)c3cccc(S)c3)c2C)cc1
InChIInChI=1S/C18H17N3OS/c1-11-6-8-13(9-7-11)16-12(2)17(21-20-16)19-18(22)14-4-3-5-15(23)10-14/h3-10,23H,1-2H3,(H2,19,20,21,22)
InChIKeyAMVYKDMVOBFLOY-UHFFFAOYSA-N
XLogP4.23
TPSA57.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide 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

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
5-(4-methylphenyl)-3-[(3-sulfamoylbenzoyl)amino]-1H-pyrazole-4-carboxylic acid
CID 59608730
N-(3,5-dimethylphenyl)-3-sulfanylbenzamide
CID 107021223
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
3-cyano-5-fluoro-N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)benzamide
CID 156583771
N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-1H-indole-2-carboxamide
CID 166403574
N-(4-iodophenyl)-3-sulfanylbenzamide
CID 107022116
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
3-methyl-N-[4-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzamide
CID 84565038
N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide
CID 166432284
N-(2-ethyl-6-methylphenyl)-3-sulfanylbenzamide
CID 107019745

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide?
The IUPAC name of N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide (CID 70826272) is N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide?
The canonical SMILES for N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide is Cc1ccc(-c2[nH]nc(NC(=O)c3cccc(S)c3)c2C)cc1.
What is the InChIKey of N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide?
The InChIKey is AMVYKDMVOBFLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11-6-8-13(9-7-11)16-12(2)17(21-20-16)19-18(22)14-4-3-5-15(23)10-14/h3-10,23H,1-2H3,(H2,19,20,21,22).
What are the key properties of N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide?
N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide has a molecular weight of 323.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(4-methylphenyl)-1H-pyrazol-3-yl]-3-sulfanylbenzamide is sourced from PubChem (CID 70826272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).