2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

C14H20BrN3S — CID 104994614

IUPAC2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cc(C)c(C)s2)c1Br
InChIInChI=1S/C14H20BrN3S/c1-5-11-14(15)12(18(4)17-11)7-10(16)13-6-8(2)9(3)19-13/h6,10H,5,7,16H2,1-4H3
InChIKeyOHZIPMXODYJBBD-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.67
Rot. Bonds4

About 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (PubChem CID 104994614) has the molecular formula C14H20BrN3S and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
PubChem CID104994614
Molecular FormulaC14H20BrN3S
Molecular Weight342.31 g/mol
Exact Mass341.06
IUPAC Name2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
SMILESCCc1nn(C)c(CC(N)c2cc(C)c(C)s2)c1Br
InChIInChI=1S/C14H20BrN3S/c1-5-11-14(15)12(18(4)17-11)7-10(16)13-6-8(2)9(3)19-13/h6,10H,5,7,16H2,1-4H3
InChIKeyOHZIPMXODYJBBD-UHFFFAOYSA-N
XLogP3.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968448
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4-dimethylphenyl)ethanamine
CID 104994444
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dichlorothiophen-3-yl)ethanamine
CID 107968447
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 113455178
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 104994625
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromofuran-3-yl)ethanamine
CID 106857889
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)ethanamine
CID 104994609
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,5-dichloro-2-pyridinyl)ethanamine
CID 79780629
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanamine
CID 103215560
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2-bromo-5-methoxyphenyl)ethanamine
CID 105157550
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,3-dichlorophenyl)ethanamine
CID 104994662
[2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105314872

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine (CID 104994614) is 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine is CCc1nn(C)c(CC(N)c2cc(C)c(C)s2)c1Br.
What is the InChIKey of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
The InChIKey is OHZIPMXODYJBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3S/c1-5-11-14(15)12(18(4)17-11)7-10(16)13-6-8(2)9(3)19-13/h6,10H,5,7,16H2,1-4H3.
What are the key properties of 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine?
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine has a molecular weight of 342.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(4,5-dimethylthiophen-2-yl)ethanamine is sourced from PubChem (CID 104994614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).