1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine

C13H25N3O2S — CID 105152645

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1cnn(C)c1C
InChIInChI=1S/C13H25N3O2S/c1-5-14-13(8-7-9-19(17,18)6-2)12-10-15-16(4)11(12)3/h10,13-14H,5-9H2,1-4H3
InChIKeyBUKLGMCUBWWUDQ-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.59
Rot. Bonds8

About 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine (PubChem CID 105152645) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
PubChem CID105152645
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
SMILESCCNC(CCCS(=O)(=O)CC)c1cnn(C)c1C
InChIInChI=1S/C13H25N3O2S/c1-5-14-13(8-7-9-19(17,18)6-2)12-10-15-16(4)11(12)3/h10,13-14H,5-9H2,1-4H3
InChIKeyBUKLGMCUBWWUDQ-UHFFFAOYSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-5-methylhexan-1-amine
CID 105177141
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-3-methylbutan-1-amine
CID 105083312
ethyl 3-(1,5-dimethylpyrazol-4-yl)-3-(ethylamino)propanoate
CID 79595467
[1-(1,5-dimethylpyrazol-4-yl)-3-methylsulfonylpropyl]hydrazine
CID 114985127
N-ethyl-4-ethylsulfonyl-1-(2-fluoro-3-methylphenyl)butan-1-amine
CID 115865493
1-(2-chloro-3-methylphenyl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 115865374
N-ethyl-4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-amine
CID 65095551
1-(2,5-dibromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 107968354
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 107968353
2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile
CID 79584724
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095999
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(1,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 105157600

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine (CID 105152645) is 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine is CCNC(CCCS(=O)(=O)CC)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
The InChIKey is BUKLGMCUBWWUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-5-14-13(8-7-9-19(17,18)6-2)12-10-15-16(4)11(12)3/h10,13-14H,5-9H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine?
1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine is sourced from PubChem (CID 105152645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).