4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide

C12H17N5O2S — CID 106085938

IUPAC4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2n[nH]c(C)c2CN)c1
InChIInChI=1S/C12H17N5O2S/c1-7-4-8(2)14-11(5-7)17-20(18,19)12-10(6-13)9(3)15-16-12/h4-5H,6,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyIRYQZOLQOCBUJN-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.99
Rot. Bonds4

About 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide

4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 106085938) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID106085938
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2n[nH]c(C)c2CN)c1
InChIInChI=1S/C12H17N5O2S/c1-7-4-8(2)14-11(5-7)17-20(18,19)12-10(6-13)9(3)15-16-12/h4-5H,6,13H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyIRYQZOLQOCBUJN-UHFFFAOYSA-N
XLogP0.99
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106061259
4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide
CID 106063173
4-(aminomethyl)-N-(3-chloro-2-methylphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106057369
4-(aminomethyl)-N-(2-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106067194
N-(4,6-dimethyl-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102693474
4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
CID 106056788
4-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114142092
1-amino-N-(4,6-dimethyl-2-pyridinyl)propane-2-sulfonamide
CID 114932074
(4,6-dimethyl-2-pyridinyl)sulfamic acid
CID 45096800
4-(aminomethyl)-N-[(2,5-difluorophenyl)methyl]-5-methyl-1H-pyrazole-3-sulfonamide
CID 106065157
4-(aminomethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106092020
4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114141590

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 106085938) is 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2n[nH]c(C)c2CN)c1.
What is the InChIKey of 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is IRYQZOLQOCBUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-7-4-8(2)14-11(5-7)17-20(18,19)12-10(6-13)9(3)15-16-12/h4-5H,6,13H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106085938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).