N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

C12H16BrN5O2S — CID 106070808

IUPACN-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)Nc2cc(C)c(Br)cn2)n[nH]c1C
InChIInChI=1S/C12H16BrN5O2S/c1-7-4-11(15-6-10(7)13)18-21(19,20)12-9(5-14-3)8(2)16-17-12/h4,6,14H,5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyYVXNMLRHHMYTCI-UHFFFAOYSA-N
MW374.26 g/mol
LogP1.70
Rot. Bonds5

About N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106070808) has the molecular formula C12H16BrN5O2S and a molecular weight of 374.26 g/mol. Its IUPAC name is N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
PubChem CID106070808
Molecular FormulaC12H16BrN5O2S
Molecular Weight374.26 g/mol
Exact Mass373.02
IUPAC NameN-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)Nc2cc(C)c(Br)cn2)n[nH]c1C
InChIInChI=1S/C12H16BrN5O2S/c1-7-4-11(15-6-10(7)13)18-21(19,20)12-9(5-14-3)8(2)16-17-12/h4,6,14H,5H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyYVXNMLRHHMYTCI-UHFFFAOYSA-N
XLogP1.70
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106076549
N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106089266
N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106020549
N-(2-chloro-6-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106070674
N-(5-bromo-4-methyl-2-pyridinyl)-2-ethyl-1H-imidazole-5-sulfonamide
CID 79729505
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106082971
5-methyl-4-(methylaminomethyl)-N-thiophen-3-yl-1H-pyrazole-3-sulfonamide
CID 106069925
N-(5-bromo-4-methyl-2-pyridinyl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 79729890
N-(5-bromo-4-methyl-2-pyridinyl)-2-hydroxyethanesulfonamide
CID 79729788
5-[(5-bromo-4-methyl-2-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 79734110
N-(5-bromo-4-methyl-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306497
5-bromo-N-(ethylsulfamoyl)-4-methylpyridin-2-amine
CID 114808883

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (CID 106070808) is N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is CNCc1c(S(=O)(=O)Nc2cc(C)c(Br)cn2)n[nH]c1C.
What is the InChIKey of N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is YVXNMLRHHMYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O2S/c1-7-4-11(15-6-10(7)13)18-21(19,20)12-9(5-14-3)8(2)16-17-12/h4,6,14H,5H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide has a molecular weight of 374.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106070808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).