6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine

C14H21N5O2S — CID 133386821

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC(C)CCS(C)(=O)=O)n2)n1
InChIInChI=1S/C14H21N5O2S/c1-10(5-6-22(4,20)21)16-13-8-15-9-14(17-13)19-12(3)7-11(2)18-19/h7-10H,5-6H2,1-4H3,(H,16,17)
InChIKeyKENCFFZQDWDMGK-UHFFFAOYSA-N
MW323.42 g/mol
LogP1.51
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine

6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine (PubChem CID 133386821) has the molecular formula C14H21N5O2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
PubChem CID133386821
Molecular FormulaC14H21N5O2S
Molecular Weight323.42 g/mol
Exact Mass323.14
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NC(C)CCS(C)(=O)=O)n2)n1
InChIInChI=1S/C14H21N5O2S/c1-10(5-6-22(4,20)21)16-13-8-15-9-14(17-13)19-12(3)7-11(2)18-19/h7-10H,5-6H2,1-4H3,(H,16,17)
InChIKeyKENCFFZQDWDMGK-UHFFFAOYSA-N
XLogP1.51
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propan-1-ol
CID 133428096
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrazin-2-amine
CID 133273936
(2S)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanoic acid
CID 122049461
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 56788053
6-ethoxy-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine
CID 133375005
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrazin-2-amine
CID 133346267
6-(3,5-dimethylpyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrazin-2-amine
CID 133283269
6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 80647714
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]pyrazin-2-amine
CID 133283125
4-[[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 133283395
N-(4-chlorophenyl)-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 25230411

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine (CID 133386821) is 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NC(C)CCS(C)(=O)=O)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine?
The InChIKey is KENCFFZQDWDMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2S/c1-10(5-6-22(4,20)21)16-13-8-15-9-14(17-13)19-12(3)7-11(2)18-19/h7-10H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine?
6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine has a molecular weight of 323.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylbutan-2-yl)pyrazin-2-amine is sourced from PubChem (CID 133386821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).