3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide

C11H18N6O2S — CID 103004216

IUPAC3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCc2ccnn2C)c(N)nn1C
InChIInChI=1S/C11H18N6O2S/c1-8-10(11(12)15-16(8)2)20(18,19)14-7-5-9-4-6-13-17(9)3/h4,6,14H,5,7H2,1-3H3,(H2,12,15)
InChIKeyDCTLPUZZFWKYMM-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.43
Rot. Bonds5

About 3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 103004216) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID103004216
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCc2ccnn2C)c(N)nn1C
InChIInChI=1S/C11H18N6O2S/c1-8-10(11(12)15-16(8)2)20(18,19)14-7-5-9-4-6-13-17(9)3/h4,6,14H,5,7H2,1-3H3,(H2,12,15)
InChIKeyDCTLPUZZFWKYMM-UHFFFAOYSA-N
XLogP-0.43
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(aminomethyl)-5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 106085795
N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693966
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-1,5-dimethyl-N-(3-methylsulfinylpropyl)pyrazole-4-sulfonamide
CID 105359297
3-amino-1,5-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 105357896
2-(ethylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 103011096
2,5-dibromo-N-[2-(2-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 104693968
2-(methylamino)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 103008087
3-amino-N-(2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105358300
3-amino-1,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105359075
2-[2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonylamino]ethoxy]acetamide
CID 106233760

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide (CID 103004216) is 3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCCc2ccnn2C)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is DCTLPUZZFWKYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-8-10(11(12)15-16(8)2)20(18,19)14-7-5-9-4-6-13-17(9)3/h4,6,14H,5,7H2,1-3H3,(H2,12,15).
What are the key properties of 3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.43, 5 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-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 103004216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).