N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide

C20H23N3O2S — CID 19577913

IUPACN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1
InChIInChI=1S/C20H23N3O2S/c1-14-9-11-19(12-10-14)26(24,25)22-20-16(3)21-23(17(20)4)13-18-8-6-5-7-15(18)2/h5-12,22H,13H2,1-4H3
InChIKeyWPWASAYWUQIECF-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.97
Rot. Bonds5

About N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide (PubChem CID 19577913) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
PubChem CID19577913
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1
InChIInChI=1S/C20H23N3O2S/c1-14-9-11-19(12-10-14)26(24,25)22-20-16(3)21-23(17(20)4)13-18-8-6-5-7-15(18)2/h5-12,22H,13H2,1-4H3
InChIKeyWPWASAYWUQIECF-UHFFFAOYSA-N
XLogP3.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide (CID 19577913) is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccccc3C)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is WPWASAYWUQIECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-9-11-19(12-10-14)26(24,25)22-20-16(3)21-23(17(20)4)13-18-8-6-5-7-15(18)2/h5-12,22H,13H2,1-4H3.
What are the key properties of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide?
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 369.49 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 19577913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).