N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine

C16H21N3S2 — CID 104990153

IUPACN-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1cc2sccc2s1
InChIInChI=1S/C16H21N3S2/c1-4-17-13(9-12-5-7-19(18-12)11(2)3)15-10-16-14(21-15)6-8-20-16/h5-8,10-11,13,17H,4,9H2,1-3H3
InChIKeySLHXOJOCOFLJSY-UHFFFAOYSA-N
MW319.50 g/mol
LogP4.63
Rot. Bonds6

About N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine

N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 104990153) has the molecular formula C16H21N3S2 and a molecular weight of 319.50 g/mol. Its IUPAC name is N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID104990153
Molecular FormulaC16H21N3S2
Molecular Weight319.50 g/mol
Exact Mass319.12
IUPAC NameN-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESCCNC(Cc1ccn(C(C)C)n1)c1cc2sccc2s1
InChIInChI=1S/C16H21N3S2/c1-4-17-13(9-12-5-7-19(18-12)11(2)3)15-10-16-14(21-15)6-8-20-16/h5-8,10-11,13,17H,4,9H2,1-3H3
InChIKeySLHXOJOCOFLJSY-UHFFFAOYSA-N
XLogP4.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-(5-methyl-2-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745597
N-ethyl-1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 65200131
2-(1-butan-2-ylpyrazol-3-yl)-1-(4,5-dimethylthiophen-2-yl)-N-ethylethanamine
CID 104989694
1-(2,6-dimethyl-4-pyridinyl)-N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107503911
N-ethyl-1-(4-methyl-1,3-thiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154905
N-ethyl-1-(1-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 107975696
N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738448
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115840517
2-(3-bromo-4-fluorophenyl)-N-ethyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115818726
N-ethyl-1-(3-methylimidazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 82902628
N-ethyl-1-(2-iodophenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 104990155
N-ethyl-1-(5-fluoro-2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64770867

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 104990153) is N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine is CCNC(Cc1ccn(C(C)C)n1)c1cc2sccc2s1.
What is the InChIKey of N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is SLHXOJOCOFLJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S2/c1-4-17-13(9-12-5-7-19(18-12)11(2)3)15-10-16-14(21-15)6-8-20-16/h5-8,10-11,13,17H,4,9H2,1-3H3.
What are the key properties of N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 319.50 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1-propan-2-ylpyrazol-3-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 104990153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).