(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

C12H15Br2N3OS — CID 105048739

IUPAC(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2N3OS/c1-3-4-17-11(8(18-2)6-16-17)10(15)9-5-7(13)12(14)19-9/h5-6,10H,3-4,15H2,1-2H3
InChIKeyYAZKSNLYTVTJLS-UHFFFAOYSA-N
MW409.15 g/mol
LogP3.94
Rot. Bonds5

About (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (PubChem CID 105048739) has the molecular formula C12H15Br2N3OS and a molecular weight of 409.15 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
PubChem CID105048739
Molecular FormulaC12H15Br2N3OS
Molecular Weight409.15 g/mol
Exact Mass406.93
IUPAC Name(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H15Br2N3OS/c1-3-4-17-11(8(18-2)6-16-17)10(15)9-5-7(13)12(14)19-9/h5-6,10H,3-4,15H2,1-2H3
InChIKeyYAZKSNLYTVTJLS-UHFFFAOYSA-N
XLogP3.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.15
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,5-dimethylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048908
(4-methoxy-1-propylpyrazol-5-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048967
(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048875
(5-bromo-4-methylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanol
CID 115837682
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048688
[(2,5-dibromothiophen-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]hydrazine
CID 107970637
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659181
(4-methoxy-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105187158
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659698

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (CID 105048739) is (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(OC)c1C(N)c1cc(Br)c(Br)s1.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The InChIKey is YAZKSNLYTVTJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2N3OS/c1-3-4-17-11(8(18-2)6-16-17)10(15)9-5-7(13)12(14)19-9/h5-6,10H,3-4,15H2,1-2H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine has a molecular weight of 409.15 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105048739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).