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

C13H19N5O2S — CID 106063148

IUPAC1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1c(C)nn(CCN)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-4-6-15-8-12(9)17-21(19,20)13-10(2)16-18(7-5-14)11(13)3/h4,6,8,17H,5,7,14H2,1-3H3
InChIKeyAPZRVQWMXAJMDS-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.96
Rot. Bonds5

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

1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide (PubChem CID 106063148) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide
PubChem CID106063148
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide
SMILESCc1ccncc1NS(=O)(=O)c1c(C)nn(CCN)c1C
InChIInChI=1S/C13H19N5O2S/c1-9-4-6-15-8-12(9)17-21(19,20)13-10(2)16-18(7-5-14)11(13)3/h4,6,8,17H,5,7,14H2,1-3H3
InChIKeyAPZRVQWMXAJMDS-UHFFFAOYSA-N
XLogP0.96
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-(2-iodophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106030234
N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106000415
1-(2-aminoethyl)-N-(3-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106060638
N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 114051879
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106026848
4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
N-(5-bromo-4-chloro-3-pyridinyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 75433919
1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106079977
2-amino-4,5-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329850
N-(4-chloro-2-methylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8822446

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide (CID 106063148) is 1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide is Cc1ccncc1NS(=O)(=O)c1c(C)nn(CCN)c1C.
What is the InChIKey of 1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
The InChIKey is APZRVQWMXAJMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-4-6-15-8-12(9)17-21(19,20)13-10(2)16-18(7-5-14)11(13)3/h4,6,8,17H,5,7,14H2,1-3H3.
What are the key properties of 1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide?
1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106063148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).