N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine

C15H22BrN3S — CID 105139621

IUPACN-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1cc(CC)nn1C
InChIInChI=1S/C15H22BrN3S/c1-4-7-17-13(10-15-12(16)6-8-20-15)14-9-11(5-2)18-19(14)3/h6,8-9,13,17H,4-5,7,10H2,1-3H3
InChIKeyPKKJWVXPDHRJLX-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.09
Rot. Bonds7

About N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine

N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 105139621) has the molecular formula C15H22BrN3S and a molecular weight of 356.33 g/mol. Its IUPAC name is N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
PubChem CID105139621
Molecular FormulaC15H22BrN3S
Molecular Weight356.33 g/mol
Exact Mass355.07
IUPAC NameN-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1sccc1Br)c1cc(CC)nn1C
InChIInChI=1S/C15H22BrN3S/c1-4-7-17-13(10-15-12(16)6-8-20-15)14-9-11(5-2)18-19(14)3/h6,8-9,13,17H,4-5,7,10H2,1-3H3
InChIKeyPKKJWVXPDHRJLX-UHFFFAOYSA-N
XLogP4.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105139407
N-[1-(3-ethyl-1-methylpyrazol-5-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
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N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324
N-[1-(4-bromo-3,5-dimethylphenyl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 114330808
2-(3-bromothiophen-2-yl)-1-(1,3-diethylpyrazol-5-yl)ethanol
CID 105090951
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 103030885
N-[2-(3-bromothiophen-2-yl)-1-thiophen-3-ylethyl]propan-1-amine
CID 62602066
N-[2-(3-bromothiophen-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 63414681
N-[2-(3-bromothiophen-2-yl)-1-(2,5-dichlorophenyl)ethyl]propan-1-amine
CID 115849219
N-[2-(3-bromothiophen-2-yl)-1-(2,4-dimethylphenyl)ethyl]propan-1-amine
CID 115849158
N-[2-(3-bromothiophen-2-yl)-1-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 63412597
N-[1-(1-benzothiophen-2-yl)-2-(3-bromothiophen-2-yl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine (CID 105139621) is N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine is CCCNC(Cc1sccc1Br)c1cc(CC)nn1C.
What is the InChIKey of N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is PKKJWVXPDHRJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3S/c1-4-7-17-13(10-15-12(16)6-8-20-15)14-9-11(5-2)18-19(14)3/h6,8-9,13,17H,4-5,7,10H2,1-3H3.
What are the key properties of N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine?
N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 356.33 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105139621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).