4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide

C13H26N4O2S — CID 106018854

IUPAC4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NC(CC)C(C)C)n[nH]c1C
InChIInChI=1S/C13H26N4O2S/c1-6-12(9(3)4)17-20(18,19)13-11(8-14-7-2)10(5)15-16-13/h9,12,14,17H,6-8H2,1-5H3,(H,15,16)
InChIKeySXILBGYFKWGZTO-UHFFFAOYSA-N
MW302.44 g/mol
LogP1.54
Rot. Bonds8

About 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide

4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide (PubChem CID 106018854) has the molecular formula C13H26N4O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
PubChem CID106018854
Molecular FormulaC13H26N4O2S
Molecular Weight302.44 g/mol
Exact Mass302.18
IUPAC Name4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
SMILESCCNCc1c(S(=O)(=O)NC(CC)C(C)C)n[nH]c1C
InChIInChI=1S/C13H26N4O2S/c1-6-12(9(3)4)17-20(18,19)13-11(8-14-7-2)10(5)15-16-13/h9,12,14,17H,6-8H2,1-5H3,(H,15,16)
InChIKeySXILBGYFKWGZTO-UHFFFAOYSA-N
XLogP1.54
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
4-(ethylaminomethyl)-5-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106028545
4-[(cyclopropylamino)methyl]-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide
CID 106018999
5-methyl-N-(4-methylpentan-2-yl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106028693
N-hexan-3-yl-5-methyl-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106055423
4-(ethylaminomethyl)-5-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106378084
5-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-3-sulfonamide
CID 114142069
5-methyl-N-(3-methylbutyl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106059200
4-(ethylaminomethyl)-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-sulfonamide
CID 106062981
N-(1,3-dimethylpyrazol-4-yl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106086042
N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106020549
5-methyl-N-(2-propan-2-yloxyethyl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106077561

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide (CID 106018854) is 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide is CCNCc1c(S(=O)(=O)NC(CC)C(C)C)n[nH]c1C.
What is the InChIKey of 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide?
The InChIKey is SXILBGYFKWGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2S/c1-6-12(9(3)4)17-20(18,19)13-11(8-14-7-2)10(5)15-16-13/h9,12,14,17H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide?
4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide has a molecular weight of 302.44 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-5-methyl-N-(2-methylpentan-3-yl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106018854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).