(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine

C14H17N3OS2 — CID 105048967

IUPAC(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCCCn1ncc(OC)c1C(N)c1cc2sccc2s1
InChIInChI=1S/C14H17N3OS2/c1-3-5-17-14(9(18-2)8-16-17)13(15)12-7-11-10(20-12)4-6-19-11/h4,6-8,13H,3,5,15H2,1-2H3
InChIKeyJGNPFZCSMWEOCV-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.63
Rot. Bonds5

About (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine

(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 105048967) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID105048967
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCCCn1ncc(OC)c1C(N)c1cc2sccc2s1
InChIInChI=1S/C14H17N3OS2/c1-3-5-17-14(9(18-2)8-16-17)13(15)12-7-11-10(20-12)4-6-19-11/h4,6-8,13H,3,5,15H2,1-2H3
InChIKeyJGNPFZCSMWEOCV-UHFFFAOYSA-N
XLogP3.63
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048908
(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048739
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659698
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293
(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659181
(4-methoxy-1-propylpyrazol-5-yl)-pyrimidin-4-ylmethanamine
CID 114652255
(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048875
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105339621

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 105048967) is (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine is CCCn1ncc(OC)c1C(N)c1cc2sccc2s1.
What is the InChIKey of (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is JGNPFZCSMWEOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-3-5-17-14(9(18-2)8-16-17)13(15)12-7-11-10(20-12)4-6-19-11/h4,6-8,13H,3,5,15H2,1-2H3.
What are the key properties of (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 307.44 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 105048967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).