4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine

C13H25N3O2S — CID 65200338

IUPAC4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1ccn(C)n1
InChIInChI=1S/C13H25N3O2S/c1-4-9-14-12(13-8-10-16(3)15-13)7-6-11-19(17,18)5-2/h8,10,12,14H,4-7,9,11H2,1-3H3
InChIKeyXHJHYZFOLUPBIG-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.68
Rot. Bonds9

About 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine

4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine (PubChem CID 65200338) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
PubChem CID65200338
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCS(=O)(=O)CC)c1ccn(C)n1
InChIInChI=1S/C13H25N3O2S/c1-4-9-14-12(13-8-10-16(3)15-13)7-6-11-19(17,18)5-2/h8,10,12,14H,4-7,9,11H2,1-3H3
InChIKeyXHJHYZFOLUPBIG-UHFFFAOYSA-N
XLogP1.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 65197711
4-ethylsulfonyl-N-propyl-1-pyridin-2-ylbutan-1-amine
CID 65095498
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
CID 114474920
1-(3-ethyl-1-methylpyrazol-4-yl)-4-ethylsulfonyl-N-propylbutan-1-amine
CID 102812433
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
4-ethylsulfonyl-N-propyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105152621
4-methoxy-4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-1-amine
CID 103035714
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
1-(1-methylpyrazol-3-yl)pentylhydrazine
CID 105228546
N-methyl-1-(1-methylpyrazol-3-yl)heptan-1-amine
CID 65200418

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine (CID 65200338) is 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine is CCCNC(CCCS(=O)(=O)CC)c1ccn(C)n1.
What is the InChIKey of 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
The InChIKey is XHJHYZFOLUPBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-4-9-14-12(13-8-10-16(3)15-13)7-6-11-19(17,18)5-2/h8,10,12,14H,4-7,9,11H2,1-3H3.
What are the key properties of 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine?
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine has a molecular weight of 287.43 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65200338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).