1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

C12H16BrN3S — CID 103029803

IUPAC1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1csc(Br)c1
InChIInChI=1S/C12H16BrN3S/c1-14-11(10-5-12(13)17-8-10)4-3-9-6-15-16(2)7-9/h5-8,11,14H,3-4H2,1-2H3
InChIKeyFURKWZDRTHGWHV-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.14
Rot. Bonds5

About 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine

1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 103029803) has the molecular formula C12H16BrN3S and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID103029803
Molecular FormulaC12H16BrN3S
Molecular Weight314.25 g/mol
Exact Mass313.02
IUPAC Name1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(CCc1cnn(C)c1)c1csc(Br)c1
InChIInChI=1S/C12H16BrN3S/c1-14-11(10-5-12(13)17-8-10)4-3-9-6-15-16(2)7-9/h5-8,11,14H,3-4H2,1-2H3
InChIKeyFURKWZDRTHGWHV-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-(5-bromo-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011495
1-(3-bromo-5-chlorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 107947047
N-methyl-3-(1-methylpyrazol-4-yl)-1-(5-methylthiophen-2-yl)propan-1-amine
CID 103030144
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
[1-(4-methoxythiophen-2-yl)-3-(1-methylpyrazol-4-yl)propyl]hydrazine
CID 103025585
1-(2-methoxy-3-pyridinyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029786
1-(2-chloro-4-fluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009971
N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750
1-(5-fluoro-1-benzothiophen-2-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030193
N-methyl-3-(1-methylpyrazol-4-yl)-1-quinolin-8-ylpropan-1-amine
CID 103029868

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine (CID 103029803) is 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is CNC(CCc1cnn(C)c1)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is FURKWZDRTHGWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S/c1-14-11(10-5-12(13)17-8-10)4-3-9-6-15-16(2)7-9/h5-8,11,14H,3-4H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine?
1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 314.25 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 103029803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).