1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine

C14H27N3O2S — CID 106730522

IUPAC1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine
SMILESCCCS(=O)(=O)CCn1nc(C)c(C(C)NCC)c1C
InChIInChI=1S/C14H27N3O2S/c1-6-9-20(18,19)10-8-17-13(5)14(12(4)16-17)11(3)15-7-2/h11,15H,6-10H2,1-5H3
InChIKeyNHVOSVAUZKGBLD-UHFFFAOYSA-N
MW301.46 g/mol
LogP2.00
Rot. Bonds8

About 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine

1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine (PubChem CID 106730522) has the molecular formula C14H27N3O2S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine
PubChem CID106730522
Molecular FormulaC14H27N3O2S
Molecular Weight301.46 g/mol
Exact Mass301.18
IUPAC Name1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine
SMILESCCCS(=O)(=O)CCn1nc(C)c(C(C)NCC)c1C
InChIInChI=1S/C14H27N3O2S/c1-6-9-20(18,19)10-8-17-13(5)14(12(4)16-17)11(3)15-7-2/h11,15H,6-10H2,1-5H3
InChIKeyNHVOSVAUZKGBLD-UHFFFAOYSA-N
XLogP2.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62731001
1-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62730461
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731733
N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731006
1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]butan-2-amine
CID 106720925
1-[3,5-dimethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 103014921
4-(1-chloroethyl)-3,5-dimethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole
CID 106730667
2-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]acetic acid
CID 106726393
N-[1-[1-(3-methoxypropyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731914
N-ethyl-1-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 62732271
N-[[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 106717707
N-[2-[1-(2-ethylsulfonylethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 79225448

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine?
The IUPAC name of 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine (CID 106730522) is 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine is CCCS(=O)(=O)CCn1nc(C)c(C(C)NCC)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine?
The InChIKey is NHVOSVAUZKGBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S/c1-6-9-20(18,19)10-8-17-13(5)14(12(4)16-17)11(3)15-7-2/h11,15H,6-10H2,1-5H3.
What are the key properties of 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine?
1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine has a molecular weight of 301.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 106730522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).