2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine

C14H22N4S — CID 82880485

IUPAC2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nn(-c2nccs2)c1CC
InChIInChI=1S/C14H22N4S/c1-4-12-11(7-8-15-6-3)13(5-2)18(17-12)14-16-9-10-19-14/h9-10,15H,4-8H2,1-3H3
InChIKeyICDMRWGDAKAWBZ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.61
Rot. Bonds7

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

2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine (PubChem CID 82880485) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine
PubChem CID82880485
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC Name2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine
SMILESCCNCCc1c(CC)nn(-c2nccs2)c1CC
InChIInChI=1S/C14H22N4S/c1-4-12-11(7-8-15-6-3)13(5-2)18(17-12)14-16-9-10-19-14/h9-10,15H,4-8H2,1-3H3
InChIKeyICDMRWGDAKAWBZ-UHFFFAOYSA-N
XLogP2.61
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine?
The IUPAC name of 2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine (CID 82880485) is 2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine?
The canonical SMILES for 2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine is CCNCCc1c(CC)nn(-c2nccs2)c1CC.
What is the InChIKey of 2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine?
The InChIKey is ICDMRWGDAKAWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-4-12-11(7-8-15-6-3)13(5-2)18(17-12)14-16-9-10-19-14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine?
2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine has a molecular weight of 278.42 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-N-ethylethanamine is sourced from PubChem (CID 82880485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).