1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine

C15H29N3O2S — CID 106730619

IUPAC1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCc1nn(CCS(=O)(=O)C(C)(C)C)c(CC)c1C(C)N
InChIInChI=1S/C15H29N3O2S/c1-7-12-14(11(3)16)13(8-2)18(17-12)9-10-21(19,20)15(4,5)6/h11H,7-10,16H2,1-6H3
InChIKeyDRRYYUCGQHJAKU-UHFFFAOYSA-N
MW315.48 g/mol
LogP2.24
Rot. Bonds6

About 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine

1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine (PubChem CID 106730619) has the molecular formula C15H29N3O2S and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine
PubChem CID106730619
Molecular FormulaC15H29N3O2S
Molecular Weight315.48 g/mol
Exact Mass315.20
IUPAC Name1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine
SMILESCCc1nn(CCS(=O)(=O)C(C)(C)C)c(CC)c1C(C)N
InChIInChI=1S/C15H29N3O2S/c1-7-12-14(11(3)16)13(8-2)18(17-12)9-10-21(19,20)15(4,5)6/h11H,7-10,16H2,1-6H3
InChIKeyDRRYYUCGQHJAKU-UHFFFAOYSA-N
XLogP2.24
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-diethyl-1-pentylpyrazol-4-yl)ethanamine
CID 82697450
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]ethanamine
CID 82696919
1-[3,5-diethyl-1-(4-methylpentyl)pyrazol-4-yl]ethanamine
CID 83169070
1-[3,5-diethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]propan-1-amine
CID 106730624
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]ethanamine
CID 113437167
3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-amine
CID 82702839
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol
CID 82697842
3,5-diethyl-1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonamide
CID 106735879
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-amine
CID 103037060
2-[3,5-diethyl-1-(2-ethylsulfonylethyl)pyrazol-4-yl]ethanamine
CID 79224877
1-[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]ethanol
CID 82697397

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine (CID 106730619) is 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine is CCc1nn(CCS(=O)(=O)C(C)(C)C)c(CC)c1C(C)N.
What is the InChIKey of 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine?
The InChIKey is DRRYYUCGQHJAKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2S/c1-7-12-14(11(3)16)13(8-2)18(17-12)9-10-21(19,20)15(4,5)6/h11H,7-10,16H2,1-6H3.
What are the key properties of 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine?
1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine has a molecular weight of 315.48 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-tert-butylsulfonylethyl)-3,5-diethylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 106730619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).