1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide

C11H15N5O2S — CID 106087966

IUPAC1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cnn(CCN)c2)c1
InChIInChI=1S/C11H15N5O2S/c1-9-4-10(6-13-5-9)15-19(17,18)11-7-14-16(8-11)3-2-12/h4-8,15H,2-3,12H2,1H3
InChIKeyGTRLGICKVLMLGG-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.35
Rot. Bonds5

About 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide (PubChem CID 106087966) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
PubChem CID106087966
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
SMILESCc1cncc(NS(=O)(=O)c2cnn(CCN)c2)c1
InChIInChI=1S/C11H15N5O2S/c1-9-4-10(6-13-5-9)15-19(17,18)11-7-14-16(8-11)3-2-12/h4-8,15H,2-3,12H2,1H3
InChIKeyGTRLGICKVLMLGG-UHFFFAOYSA-N
XLogP0.35
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(ethylamino)ethyl]-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106087991
1-(2-aminoethyl)-N-pyridin-3-ylpyrazole-4-sulfonamide
CID 114138925
1-(2-aminoethyl)-N-(3-bromo-2-methylphenyl)pyrazole-4-sulfonamide
CID 106088124
1-(2-aminoethyl)-N-(3-chlorophenyl)pyrazole-4-sulfonamide
CID 106060399
1-(2-aminoethyl)-N-(3-fluorophenyl)pyrazole-4-sulfonamide
CID 106060565
1-(2-aminoethyl)-N-(2,3-dihydro-1H-inden-5-yl)pyrazole-4-sulfonamide
CID 106059548
1-(2-aminoethyl)-N',N'-dimethylpyrazole-4-sulfonohydrazide
CID 106074651
1-(2-aminoethyl)-N-(2-bromo-3-methylphenyl)pyrazole-4-sulfonamide
CID 106073844
1-(2-aminoethyl)-N-(1,3-benzothiazol-6-yl)pyrazole-4-sulfonamide
CID 106089376
5-(aminomethyl)-1-ethyl-N-(5-methyl-3-pyridinyl)pyrrole-3-sulfonamide
CID 106087981
1-(2-aminoethyl)-N-(6-methyl-2-pyridinyl)pyrazole-4-sulfonamide
CID 106086842
1-(2-aminoethyl)-N-(5-bromo-2,4-difluorophenyl)pyrazole-4-sulfonamide
CID 106087019

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide (CID 106087966) is 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide is Cc1cncc(NS(=O)(=O)c2cnn(CCN)c2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
The InChIKey is GTRLGICKVLMLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-9-4-10(6-13-5-9)15-19(17,18)11-7-14-16(8-11)3-2-12/h4-8,15H,2-3,12H2,1H3.
What are the key properties of 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(5-methyl-3-pyridinyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106087966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).