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

C11H15N5O2S — CID 106063173

IUPAC4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1n[nH]c(C)c1CN
InChIInChI=1S/C11H15N5O2S/c1-7-3-4-13-6-10(7)16-19(17,18)11-9(5-12)8(2)14-15-11/h3-4,6,16H,5,12H2,1-2H3,(H,14,15)
InChIKeyCSEALQBQTSRNDM-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.68
Rot. Bonds4

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

4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106063173) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide
PubChem CID106063173
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1n[nH]c(C)c1CN
InChIInChI=1S/C11H15N5O2S/c1-7-3-4-13-6-10(7)16-19(17,18)11-9(5-12)8(2)14-15-11/h3-4,6,16H,5,12H2,1-2H3,(H,14,15)
InChIKeyCSEALQBQTSRNDM-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

4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106061259
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
5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 114141286
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106085938
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
4-(aminomethyl)-N-(1H-imidazol-5-ylmethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114141590
4-(aminomethyl)-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazole-3-sulfonamide
CID 106056788
4-(aminomethyl)-5-methyl-N-(pyridazin-3-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106089524
5-(aminomethyl)-2-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063130

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide (CID 106063173) is 4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide is Cc1ccncc1NS(=O)(=O)c1n[nH]c(C)c1CN.
What is the InChIKey of 4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is CSEALQBQTSRNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-7-3-4-13-6-10(7)16-19(17,18)11-9(5-12)8(2)14-15-11/h3-4,6,16H,5,12H2,1-2H3,(H,14,15).
What are the key properties of 4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide?
4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-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 4-(aminomethyl)-5-methyl-N-(4-methyl-3-pyridinyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106063173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).