4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide

C18H22N6O2S — CID 133283395

IUPAC4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(C)n(-c2cncc(NCc3ccc(S(=O)(=O)N(C)C)cc3)n2)n1
InChIInChI=1S/C18H22N6O2S/c1-13-9-14(2)24(22-13)18-12-19-11-17(21-18)20-10-15-5-7-16(8-6-15)27(25,26)23(3)4/h5-9,11-12H,10H2,1-4H3,(H,20,21)
InChIKeyNWCCQIIPLIJBOB-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.14
Rot. Bonds6

About 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide

4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 133283395) has the molecular formula C18H22N6O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID133283395
Molecular FormulaC18H22N6O2S
Molecular Weight386.48 g/mol
Exact Mass386.15
IUPAC Name4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCc1cc(C)n(-c2cncc(NCc3ccc(S(=O)(=O)N(C)C)cc3)n2)n1
InChIInChI=1S/C18H22N6O2S/c1-13-9-14(2)24(22-13)18-12-19-11-17(21-18)20-10-15-5-7-16(8-6-15)27(25,26)23(3)4/h5-9,11-12H,10H2,1-4H3,(H,20,21)
InChIKeyNWCCQIIPLIJBOB-UHFFFAOYSA-N
XLogP2.14
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine
CID 133283995
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-ethylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283221
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrazin-2-amine
CID 133284210
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708
N-(1,3-benzodioxol-4-ylmethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133283965
6-(3,5-dimethylpyrazol-1-yl)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]pyrazin-2-amine
CID 133283698
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazin-2-amine
CID 133273936
1-[[3-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133283076
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284649
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazin-2-amine
CID 133366343
N-(2-methylpropyl)-4-[[(6-methylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 75522952

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide (CID 133283395) is 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide is Cc1cc(C)n(-c2cncc(NCc3ccc(S(=O)(=O)N(C)C)cc3)n2)n1.
What is the InChIKey of 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NWCCQIIPLIJBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2S/c1-13-9-14(2)24(22-13)18-12-19-11-17(21-18)20-10-15-5-7-16(8-6-15)27(25,26)23(3)4/h5-9,11-12H,10H2,1-4H3,(H,20,21).
What are the key properties of 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 386.48 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 133283395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).