1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide

C13H17N3O2S — CID 61394885

IUPAC1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)cc(-n2nc(C)c(S(N)(=O)=O)c2C)c1
InChIInChI=1S/C13H17N3O2S/c1-8-5-9(2)7-12(6-8)16-11(4)13(10(3)15-16)19(14,17)18/h5-7H,1-4H3,(H2,14,17,18)
InChIKeyAKGOYCMMQIBSEB-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.75
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide

1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 61394885) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID61394885
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1cc(C)cc(-n2nc(C)c(S(N)(=O)=O)c2C)c1
InChIInChI=1S/C13H17N3O2S/c1-8-5-9(2)7-12(6-8)16-11(4)13(10(3)15-16)19(14,17)18/h5-7H,1-4H3,(H2,14,17,18)
InChIKeyAKGOYCMMQIBSEB-UHFFFAOYSA-N
XLogP1.75
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-1-(3,5-dimethylphenyl)-3-methylpyrazole-5-sulfonamide
CID 116647252
1-(2-bromophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 61394887
3-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 43542554
2-[1-(3,5-dimethylphenyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 79224846
2-amino-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzenesulfonamide
CID 79466814
1-[(4-chloro-3-fluorophenyl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
CID 107889706
N-(2-bromo-4-methylphenyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22773989
1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonic acid
CID 87530789
1-(2-hydroxycycloheptyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 62714101
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole
CID 39240351
1-decyl-3,5-dimethylpyrazole-4-sulfonamide
CID 81336690
N-(3,5-dimethylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682880

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 61394885) is 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide is Cc1cc(C)cc(-n2nc(C)c(S(N)(=O)=O)c2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is AKGOYCMMQIBSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-8-5-9(2)7-12(6-8)16-11(4)13(10(3)15-16)19(14,17)18/h5-7H,1-4H3,(H2,14,17,18).
What are the key properties of 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide?
1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 61394885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).