1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

C14H16BrN3S2 — CID 105042170

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2sccc2s1)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H16BrN3S2/c1-8(2)18-14(9(15)7-17-18)13(16-3)12-6-11-10(20-12)4-5-19-11/h4-8,13,16H,1-3H3
InChIKeyQGXIWPVEFZUPQG-UHFFFAOYSA-N
MW370.34 g/mol
LogP4.81
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 105042170) has the molecular formula C14H16BrN3S2 and a molecular weight of 370.34 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID105042170
Molecular FormulaC14H16BrN3S2
Molecular Weight370.34 g/mol
Exact Mass369.00
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2sccc2s1)c1c(Br)cnn1C(C)C
InChIInChI=1S/C14H16BrN3S2/c1-8(2)18-14(9(15)7-17-18)13(16-3)12-6-11-10(20-12)4-5-19-11/h4-8,13,16H,1-3H3
InChIKeyQGXIWPVEFZUPQG-UHFFFAOYSA-N
XLogP4.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.34
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4-bromo-1-methylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105342289
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105042131
[(4-methoxy-1-propan-2-ylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 105339621
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dibromophenyl)-N-methylmethanamine
CID 107946798
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105183986
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105398856
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 105042228
[(5-bromo-4-methylthiophen-2-yl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methyl]hydrazine
CID 105337035
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)-N-methylmethanamine
CID 105183959
N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine
CID 80733378
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-(5-ethylfuran-2-yl)-N-methylmethanamine
CID 105042324

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (CID 105042170) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is CNC(c1cc2sccc2s1)c1c(Br)cnn1C(C)C.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is QGXIWPVEFZUPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S2/c1-8(2)18-14(9(15)7-17-18)13(16-3)12-6-11-10(20-12)4-5-19-11/h4-8,13,16H,1-3H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 370.34 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 105042170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).