N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

C11H18N6O2S — CID 115319875

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCn1cc(N)cn1
InChIInChI=1S/C11H18N6O2S/c1-8-11(9(2)16(3)15-8)20(18,19)14-4-5-17-7-10(12)6-13-17/h6-7,14H,4-5,12H2,1-3H3
InChIKeyQWNYLYQCJQUNNM-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.21
Rot. Bonds5

About N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 115319875) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID115319875
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCCn1cc(N)cn1
InChIInChI=1S/C11H18N6O2S/c1-8-11(9(2)16(3)15-8)20(18,19)14-4-5-17-7-10(12)6-13-17/h6-7,14H,4-5,12H2,1-3H3
InChIKeyQWNYLYQCJQUNNM-UHFFFAOYSA-N
XLogP-0.21
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 ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4-aminopyrazol-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 115319861
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 115319552
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 113285935
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 79523965
N-[2-(4-aminopyrazol-1-yl)ethyl]propane-1-sulfonamide
CID 115319872
1,3,5-trimethyl-N-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 62658927
1,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 22209348
N-[2-(4-aminopyrazol-1-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 115319829
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,1-difluoromethanesulfonamide
CID 115319879
N-[3-(4-chloro-5-methylpyrazol-1-yl)propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22207448
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
CID 106996486
1,3,5-trimethyl-N-[3-(3-methylpyrazol-1-yl)propyl]pyrazole-4-sulfonamide
CID 22207301

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide (CID 115319875) is N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCCn1cc(N)cn1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is QWNYLYQCJQUNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-8-11(9(2)16(3)15-8)20(18,19)14-4-5-17-7-10(12)6-13-17/h6-7,14H,4-5,12H2,1-3H3.
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 115319875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).