1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine

C13H18BrN3OS — CID 105048698

IUPAC1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)c1sccc1Br
InChIInChI=1S/C13H18BrN3OS/c1-4-6-17-12(10(18-3)8-16-17)11(15-2)13-9(14)5-7-19-13/h5,7-8,11,15H,4,6H2,1-3H3
InChIKeyYSJSBLYRODRKEC-UHFFFAOYSA-N
MW344.28 g/mol
LogP3.43
Rot. Bonds6

About 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine

1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (PubChem CID 105048698) has the molecular formula C13H18BrN3OS and a molecular weight of 344.28 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
PubChem CID105048698
Molecular FormulaC13H18BrN3OS
Molecular Weight344.28 g/mol
Exact Mass343.04
IUPAC Name1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
SMILESCCCn1ncc(OC)c1C(NC)c1sccc1Br
InChIInChI=1S/C13H18BrN3OS/c1-4-6-17-12(10(18-3)8-16-17)11(15-2)13-9(14)5-7-19-13/h5,7-8,11,15H,4,6H2,1-3H3
InChIKeyYSJSBLYRODRKEC-UHFFFAOYSA-N
XLogP3.43
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105048861
[(3-bromothiophen-2-yl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339439
1-(3-bromo-2-pyridinyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660556
1-(3-bromo-4-fluorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114660093
(4-methoxy-1-propylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanol
CID 115837711
1-(4-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 114646357
1-(5-chlorofuran-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 106693264
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105187073
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114647720
1-(4-methoxy-1-propylpyrazol-5-yl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105187148
1-(3-bromo-4-methoxyphenyl)-1-(4-bromo-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105041426
1-(4-methoxy-1-propylpyrazol-5-yl)ethylhydrazine
CID 105201289

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine (CID 105048698) is 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is CCCn1ncc(OC)c1C(NC)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
The InChIKey is YSJSBLYRODRKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3OS/c1-4-6-17-12(10(18-3)8-16-17)11(15-2)13-9(14)5-7-19-13/h5,7-8,11,15H,4,6H2,1-3H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine?
1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine has a molecular weight of 344.28 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 105048698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).