3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide

C11H15N5O2S — CID 106088096

IUPAC3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cncc(NS(=O)(=O)c2c(CN)n[nH]c2C)c1
InChIInChI=1S/C11H15N5O2S/c1-7-3-9(6-13-5-7)16-19(17,18)11-8(2)14-15-10(11)4-12/h3,5-6,16H,4,12H2,1-2H3,(H,14,15)
InChIKeyDGLBFPTYXIASLN-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.68
Rot. Bonds4

About 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide

3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide (PubChem CID 106088096) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
PubChem CID106088096
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
SMILESCc1cncc(NS(=O)(=O)c2c(CN)n[nH]c2C)c1
InChIInChI=1S/C11H15N5O2S/c1-7-3-9(6-13-5-7)16-19(17,18)11-8(2)14-15-10(11)4-12/h3,5-6,16H,4,12H2,1-2H3,(H,14,15)
InChIKeyDGLBFPTYXIASLN-UHFFFAOYSA-N
XLogP0.68
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-5-methyl-N-(6-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106073270
4-(aminomethyl)-2,5-dimethyl-N-(5-methyl-3-pyridinyl)furan-3-sulfonamide
CID 106087975
3-(aminomethyl)-N-(1-benzothiophen-5-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106003747
5-methyl-3-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-4-sulfonamide
CID 106088574
3-(aminomethyl)-N-(2-bromo-5-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106073368
N-(3,5-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 866897
3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106061953
3-(aminomethyl)-N-(2-chloro-4-iodophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106006895
5-methyl-3-(methylaminomethyl)-N-pyridin-3-yl-1H-pyrazole-4-sulfonamide
CID 106032980
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584499
3-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106055214

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide (CID 106088096) is 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide is Cc1cncc(NS(=O)(=O)c2c(CN)n[nH]c2C)c1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is DGLBFPTYXIASLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-7-3-9(6-13-5-7)16-19(17,18)11-8(2)14-15-10(11)4-12/h3,5-6,16H,4,12H2,1-2H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide?
3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-(5-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106088096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).