4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide

C16H20N6O2S — CID 22434373

IUPAC4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C16H20N6O2S/c1-4-9-22-13(3)15(16(19-22)21-10-17-18-11-21)20-25(23,24)14-7-5-12(2)6-8-14/h5-8,10-11,20H,4,9H2,1-3H3
InChIKeyWURRMVRRHXVUAQ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.29
Rot. Bonds6

About 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide

4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 22434373) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID22434373
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESCCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2ccc(C)cc2)c1C
InChIInChI=1S/C16H20N6O2S/c1-4-9-22-13(3)15(16(19-22)21-10-17-18-11-21)20-25(23,24)14-7-5-12(2)6-8-14/h5-8,10-11,20H,4,9H2,1-3H3
InChIKeyWURRMVRRHXVUAQ-UHFFFAOYSA-N
XLogP2.29
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethyl-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434406
N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 22434419
3-chloro-N-[1-ethyl-5-methyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 22434268
4-methyl-N-(1-propylpyrazol-3-yl)benzenesulfonamide
CID 53017323
N-[1,5-dimethyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 82017342
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
CID 19577913
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-propan-2-ylbenzenesulfonamide
CID 22203047
N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-propylbenzenesulfonamide
CID 22202905
N-(5-benzoyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide
CID 135052055
4-bromo-N-(3-butyl-1,5-dimethylpyrazol-4-yl)benzenesulfonamide
CID 58561364
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 16877071
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-4-ethoxybenzenesulfonamide
CID 22201953

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 22434373) is 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide is CCCn1nc(-n2cnnc2)c(NS(=O)(=O)c2ccc(C)cc2)c1C.
What is the InChIKey of 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is WURRMVRRHXVUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-4-9-22-13(3)15(16(19-22)21-10-17-18-11-21)20-25(23,24)14-7-5-12(2)6-8-14/h5-8,10-11,20H,4,9H2,1-3H3.
What are the key properties of 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide?
4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-methyl-1-propyl-3-(1,2,4-triazol-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22434373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).