4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide

C12H17N5O2S — CID 106022701

IUPAC4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C12H17N5O2S/c1-9(11-5-3-4-6-14-11)17-20(18,19)12-10(7-13-2)8-15-16-12/h3-6,8-9,13,17H,7H2,1-2H3,(H,15,16)
InChIKeyGKLJGMGLHBWELS-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.56
Rot. Bonds6

About 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide

4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106022701) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106022701
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
SMILESCNCc1cn[nH]c1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C12H17N5O2S/c1-9(11-5-3-4-6-14-11)17-20(18,19)12-10(7-13-2)8-15-16-12/h3-6,8-9,13,17H,7H2,1-2H3,(H,15,16)
InChIKeyGKLJGMGLHBWELS-UHFFFAOYSA-N
XLogP0.56
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106003395
4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 106055074
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068722
4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
CID 106053436
1-methyl-5-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)pyrrole-3-sulfonamide
CID 106022878
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106060777
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
4-(ethylaminomethyl)-N-[1-(1H-imidazol-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085113

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide (CID 106022701) is 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide is CNCc1cn[nH]c1S(=O)(=O)NC(C)c1ccccn1.
What is the InChIKey of 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is GKLJGMGLHBWELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-9(11-5-3-4-6-14-11)17-20(18,19)12-10(7-13-2)8-15-16-12/h3-6,8-9,13,17H,7H2,1-2H3,(H,15,16).
What are the key properties of 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106022701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).