2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

C16H17BrN4 — CID 103126121

IUPAC2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cnn2ccncc12
InChIInChI=1S/C16H17BrN4/c1-2-19-15(9-12-3-5-13(17)6-4-12)14-10-20-21-8-7-18-11-16(14)21/h3-8,10-11,15,19H,2,9H2,1H3
InChIKeyWHZNTEMIIYVLOB-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.39
Rot. Bonds5

About 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (PubChem CID 103126121) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
PubChem CID103126121
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCCNC(Cc1ccc(Br)cc1)c1cnn2ccncc12
InChIInChI=1S/C16H17BrN4/c1-2-19-15(9-12-3-5-13(17)6-4-12)14-10-20-21-8-7-18-11-16(14)21/h3-8,10-11,15,19H,2,9H2,1H3
InChIKeyWHZNTEMIIYVLOB-UHFFFAOYSA-N
XLogP3.39
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129414
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-3-ylethanamine
CID 103126767
2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126678
N-ethyl-3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103125922
2-(2-chlorophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126235
N-ethyl-3-(2-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103128451
2-(4-bromophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274181
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 103126621
N-ethyl-4,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126890
N-ethyl-2-propoxy-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127684
N-ethyl-2-(4-iodophenyl)-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103127281
N-ethyl-4-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpent-4-en-1-amine
CID 103128181

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The IUPAC name of 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (CID 103126121) is 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is CCNC(Cc1ccc(Br)cc1)c1cnn2ccncc12.
What is the InChIKey of 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The InChIKey is WHZNTEMIIYVLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-2-19-15(9-12-3-5-13(17)6-4-12)14-10-20-21-8-7-18-11-16(14)21/h3-8,10-11,15,19H,2,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine has a molecular weight of 345.24 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is sourced from PubChem (CID 103126121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).