4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide

C12H17N5O2S — CID 106031009

IUPAC4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H17N5O2S/c1-2-13-8-11-9-15-17-12(11)20(18,19)16-7-10-3-5-14-6-4-10/h3-6,9,13,16H,2,7-8H2,1H3,(H,15,17)
InChIKeyNOBZCIZVLYIBKA-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.39
Rot. Bonds7

About 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide

4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106031009) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID106031009
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESCCNCc1cn[nH]c1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C12H17N5O2S/c1-2-13-8-11-9-15-17-12(11)20(18,19)16-7-10-3-5-14-6-4-10/h3-6,9,13,16H,2,7-8H2,1H3,(H,15,17)
InChIKeyNOBZCIZVLYIBKA-UHFFFAOYSA-N
XLogP0.39
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromophenyl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106018754
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106094973
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
4-(ethylaminomethyl)-N-(5-methoxypentyl)-1H-pyrazole-5-sulfonamide
CID 106092808
4-(ethylaminomethyl)-N-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 115522891
3-(ethylaminomethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106031016
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085428
N-(3,5-dichlorophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106058989
N-(2-chloro-4-iodophenyl)-4-(ethylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106006932
N-(2-fluoroethyl)-4-(propylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 114267237
4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106016006
4-(ethylaminomethyl)-N-(1-thiophen-2-ylpropan-2-yl)-1H-pyrazole-5-sulfonamide
CID 106004408

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 106031009) is 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide is CCNCc1cn[nH]c1S(=O)(=O)NCc1ccncc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is NOBZCIZVLYIBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-2-13-8-11-9-15-17-12(11)20(18,19)16-7-10-3-5-14-6-4-10/h3-6,9,13,16H,2,7-8H2,1H3,(H,15,17).
What are the key properties of 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide?
4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106031009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).