3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide

C12H17N5O2S — CID 61139761

IUPAC3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H17N5O2S/c1-3-17(8-10-4-6-14-7-5-10)20(18,19)11-9-16(2)15-12(11)13/h4-7,9H,3,8H2,1-2H3,(H2,13,15)
InChIKeyGUNFLSZSXFUOCJ-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.61
Rot. Bonds5

About 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide

3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 61139761) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
PubChem CID61139761
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide
SMILESCCN(Cc1ccncc1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C12H17N5O2S/c1-3-17(8-10-4-6-14-7-5-10)20(18,19)11-9-16(2)15-12(11)13/h4-7,9H,3,8H2,1-2H3,(H2,13,15)
InChIKeyGUNFLSZSXFUOCJ-UHFFFAOYSA-N
XLogP0.61
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
4-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61138237
3-amino-N-ethyl-1-methyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 60810084
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
2-amino-5-bromo-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 61139950
3-amino-N-(cyclopropylmethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 63954082
2,4-dichloro-N-ethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 23988205
6-amino-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 64601867
4-bromo-N-ethyl-2-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 116528266
3-amino-N-ethyl-1-methyl-N-phenylpyrazole-4-sulfonamide
CID 54922418
N-ethyl-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 5003248
5-(aminomethyl)-N-ethyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61449447

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide (CID 61139761) is 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide is CCN(Cc1ccncc1)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is GUNFLSZSXFUOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-3-17(8-10-4-6-14-7-5-10)20(18,19)11-9-16(2)15-12(11)13/h4-7,9H,3,8H2,1-2H3,(H2,13,15).
What are the key properties of 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide?
3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61139761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).