N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H22N4O2S — CID 55242170

IUPACN-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CCN)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H22N4O2S/c1-4-5-7-15(8-6-12)18(16,17)11-9(2)13-14-10(11)3/h4-8,12H2,1-3H3,(H,13,14)
InChIKeyCDATXMKTDBMXCJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.78
Rot. Bonds7

About N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 55242170) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID55242170
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCCCN(CCN)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H22N4O2S/c1-4-5-7-15(8-6-12)18(16,17)11-9(2)13-14-10(11)3/h4-8,12H2,1-3H3,(H,13,14)
InChIKeyCDATXMKTDBMXCJ-UHFFFAOYSA-N
XLogP0.78
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 28708027
N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
CID 63767372
3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60700329
N,N-bis(2-cyanoethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 16767614
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992419
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
N-(1-amino-2-methylpropan-2-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 62007842
N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 60960075
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62009456
N-(2-aminophenyl)-3,5-dimethyl-N-propyl-1H-pyrazole-4-sulfonamide
CID 63230617
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257740

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 55242170) is N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCCCN(CCN)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is CDATXMKTDBMXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-4-5-7-15(8-6-12)18(16,17)11-9(2)13-14-10(11)3/h4-8,12H2,1-3H3,(H,13,14).
What are the key properties of N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 55242170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).