2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

C14H15BrN4S — CID 103126678

IUPAC2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1cnn2ccncc12
InChIInChI=1S/C14H15BrN4S/c1-2-17-12(7-10-3-4-14(15)20-10)11-8-18-19-6-5-16-9-13(11)19/h3-6,8-9,12,17H,2,7H2,1H3
InChIKeyHCPAMDUETKJNES-UHFFFAOYSA-N
MW351.27 g/mol
LogP3.45
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (PubChem CID 103126678) has the molecular formula C14H15BrN4S and a molecular weight of 351.27 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
PubChem CID103126678
Molecular FormulaC14H15BrN4S
Molecular Weight351.27 g/mol
Exact Mass350.02
IUPAC Name2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1cnn2ccncc12
InChIInChI=1S/C14H15BrN4S/c1-2-17-12(7-10-3-4-14(15)20-10)11-8-18-19-6-5-16-9-13(11)19/h3-6,8-9,12,17H,2,7H2,1H3
InChIKeyHCPAMDUETKJNES-UHFFFAOYSA-N
XLogP3.45
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126121
N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine
CID 103126679
2-(2-chlorophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126235
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-3-ylethanamine
CID 103126767
N-ethyl-3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103125922
N-ethyl-4,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126890
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 103126621
N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine
CID 103126662
N-ethyl-3-(2-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103128451
N-ethyl-2-propoxy-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127684
N-ethyl-4-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpent-4-en-1-amine
CID 103128181
N-ethyl-2-(oxan-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126820

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (CID 103126678) is 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is CCNC(Cc1ccc(Br)s1)c1cnn2ccncc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The InChIKey is HCPAMDUETKJNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4S/c1-2-17-12(7-10-3-4-14(15)20-10)11-8-18-19-6-5-16-9-13(11)19/h3-6,8-9,12,17H,2,7H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine has a molecular weight of 351.27 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is sourced from PubChem (CID 103126678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).