N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

C11H22N4O2S — CID 54987359

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H22N4O2S/c1-5-15(7-8(2)6-12)18(16,17)11-9(3)13-14-10(11)4/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyAAKYJHZPTSBKMI-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.63
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 54987359) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID54987359
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C11H22N4O2S/c1-5-15(7-8(2)6-12)18(16,17)11-9(3)13-14-10(11)4/h8H,5-7,12H2,1-4H3,(H,13,14)
InChIKeyAAKYJHZPTSBKMI-UHFFFAOYSA-N
XLogP0.63
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N,N-bis(3-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 60700329
4-[ethyl(2-methylbutyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 79478150
3-(chloromethyl)-N-ethyl-5-methyl-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 79470825
N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 60960075
N-ethyl-5-methyl-3-(methylaminomethyl)-N-(2-methylbutyl)-1H-pyrazole-4-sulfonamide
CID 79470718
N-(2-aminoethyl)-3,5-dimethyl-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 28708027
N-(1-amino-2-methylpropan-2-yl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 62007842
N-(2-aminoethyl)-N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 55242170
3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992419
N-(2-bromopropyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 80668082
N-(2-aminoethyl)-3,5-dimethyl-N-pentan-3-yl-1H-pyrazole-4-sulfonamide
CID 63767372
N-[3-(aminomethyl)pentan-3-yl]-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62009456

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 54987359) is N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is CCN(CC(C)CN)S(=O)(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is AAKYJHZPTSBKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-15(7-8(2)6-12)18(16,17)11-9(3)13-14-10(11)4/h8H,5-7,12H2,1-4H3,(H,13,14).
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54987359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).