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

C11H22N4O2S — CID 106018839

IUPAC4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1[nH]ncc1CNC)C(C)C
InChIInChI=1S/C11H22N4O2S/c1-5-10(8(2)3)15-18(16,17)11-9(6-12-4)7-13-14-11/h7-8,10,12,15H,5-6H2,1-4H3,(H,13,14)
InChIKeyUSPILVAZZYMKOC-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.84
Rot. Bonds7

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

4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 106018839) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
PubChem CID106018839
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1[nH]ncc1CNC)C(C)C
InChIInChI=1S/C11H22N4O2S/c1-5-10(8(2)3)15-18(16,17)11-9(6-12-4)7-13-14-11/h7-8,10,12,15H,5-6H2,1-4H3,(H,13,14)
InChIKeyUSPILVAZZYMKOC-UHFFFAOYSA-N
XLogP0.84
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068722
4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 106055074
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
CID 106053436
4-(methylaminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106003395
4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106022701
N-(2-ethoxypropyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106078744
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018965
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
N-(2-ethylhexyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 107818708
N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106060777
4-(methylaminomethyl)-N-pyrimidin-5-yl-1H-pyrazole-5-sulfonamide
CID 106088621

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide (CID 106018839) is 4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide is CCC(NS(=O)(=O)c1[nH]ncc1CNC)C(C)C.
What is the InChIKey of 4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is USPILVAZZYMKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-10(8(2)3)15-18(16,17)11-9(6-12-4)7-13-14-11/h7-8,10,12,15H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106018839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).