2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine

C17H27N3S — CID 105001588

IUPAC2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(CC)nn1CC)c1cc(C)c(C)s1
InChIInChI=1S/C17H27N3S/c1-6-14-10-15(20(8-3)19-14)11-16(18-7-2)17-9-12(4)13(5)21-17/h9-10,16,18H,6-8,11H2,1-5H3
InChIKeyAUWBNSSPTUAYGB-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.04
Rot. Bonds7

About 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine

2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine (PubChem CID 105001588) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
PubChem CID105001588
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC Name2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(Cc1cc(CC)nn1CC)c1cc(C)c(C)s1
InChIInChI=1S/C17H27N3S/c1-6-14-10-15(20(8-3)19-14)11-16(18-7-2)17-9-12(4)13(5)21-17/h9-10,16,18H,6-8,11H2,1-5H3
InChIKeyAUWBNSSPTUAYGB-UHFFFAOYSA-N
XLogP4.04
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 105001762
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methylfuran-2-yl)ethanamine
CID 104805474
1-(4,5-dimethylthiophen-2-yl)-N-ethylpropan-1-amine
CID 114979442
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylthiophen-2-yl)ethanamine
CID 105002857
2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 104989694
2-(1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-iodophenyl)ethanamine
CID 105001727
1-(1,3-diethylpyrazol-5-yl)-N,3-diethylpentan-2-amine
CID 105001592
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-ylethanamine
CID 105023486
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051012
1-(4,5-dimethylthiophen-2-yl)-N-ethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844174
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 105001734
2-(1,3-diethylpyrazol-5-yl)-1-(2,4-dimethylphenyl)-N-methylethanamine
CID 105001550

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine (CID 105001588) is 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine is CCNC(Cc1cc(CC)nn1CC)c1cc(C)c(C)s1.
What is the InChIKey of 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
The InChIKey is AUWBNSSPTUAYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-6-14-10-15(20(8-3)19-14)11-16(18-7-2)17-9-12(4)13(5)21-17/h9-10,16,18H,6-8,11H2,1-5H3.
What are the key properties of 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine?
2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine has a molecular weight of 305.49 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diethylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 105001588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).