1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide

C13H24N4O2S — CID 106026848

IUPAC1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCN)c(C)c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-10-13(11(2)17(16-10)8-7-14)20(18,19)15-9-12-5-3-4-6-12/h12,15H,3-9,14H2,1-2H3
InChIKeyDXTMSCQWOFZKEZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.93
Rot. Bonds6

About 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide

1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 106026848) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID106026848
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCN)c(C)c1S(=O)(=O)NCC1CCCC1
InChIInChI=1S/C13H24N4O2S/c1-10-13(11(2)17(16-10)8-7-14)20(18,19)15-9-12-5-3-4-6-12/h12,15H,3-9,14H2,1-2H3
InChIKeyDXTMSCQWOFZKEZ-UHFFFAOYSA-N
XLogP0.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106024922
1-(2-aminoethyl)-N-(2-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106079977
1-(2-aminoethyl)-N-(3-methoxy-2-methylpropyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106050761
3,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 84600949
1-(2-aminoethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410831
1-(3-aminopropyl)-N-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106054114
1-(2-aminoethyl)-N-(2-iodophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106030234
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide
CID 106076320
N-(2-cyclopropylpropan-2-yl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106001169
1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106063148
1,3,5-trimethyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyrazole-4-sulfonamide
CID 94500290

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 106026848) is 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(CCN)c(C)c1S(=O)(=O)NCC1CCCC1.
What is the InChIKey of 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is DXTMSCQWOFZKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-10-13(11(2)17(16-10)8-7-14)20(18,19)15-9-12-5-3-4-6-12/h12,15H,3-9,14H2,1-2H3.
What are the key properties of 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide?
1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 106026848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).