3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide

C12H20N6O2S — CID 105359075

IUPAC3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C12H20N6O2S/c1-7-10(8(2)17(4)15-7)6-14-21(19,20)11-9(3)18(5)16-12(11)13/h14H,6H2,1-5H3,(H2,13,16)
InChIKeyQESYTQVVFCFLJC-UHFFFAOYSA-N
MW312.40 g/mol
LogP0.14
Rot. Bonds4

About 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 105359075) has the molecular formula C12H20N6O2S and a molecular weight of 312.40 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID105359075
Molecular FormulaC12H20N6O2S
Molecular Weight312.40 g/mol
Exact Mass312.14
IUPAC Name3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1CNS(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C12H20N6O2S/c1-7-10(8(2)17(4)15-7)6-14-21(19,20)11-9(3)18(5)16-12(11)13/h14H,6H2,1-5H3,(H2,13,16)
InChIKeyQESYTQVVFCFLJC-UHFFFAOYSA-N
XLogP0.14
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-1,5-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 105358787
3-amino-1,5-dimethyl-N-pent-3-ynylpyrazole-4-sulfonamide
CID 105359344
3-amino-N-(2-cyclopropylethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359042
3-amino-N-[(2-methoxyphenyl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105358092
3-amino-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
CID 105359297
2-hydrazinyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 79232961
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide
CID 22209486
2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
CID 106233760
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 103004216

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide (CID 105359075) is 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide is Cc1nn(C)c(C)c1CNS(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is QESYTQVVFCFLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2S/c1-7-10(8(2)17(4)15-7)6-14-21(19,20)11-9(3)18(5)16-12(11)13/h14H,6H2,1-5H3,(H2,13,16).
What are the key properties of 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 105359075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).