2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

C15H14BrClN4 — CID 103128151

IUPAC2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1cnn2ccncc12
InChIInChI=1S/C15H14BrClN4/c1-18-14(6-10-2-3-11(16)7-13(10)17)12-8-20-21-5-4-19-9-15(12)21/h2-5,7-9,14,18H,6H2,1H3
InChIKeyVHCHILAFDZDXGG-UHFFFAOYSA-N
MW365.66 g/mol
LogP3.65
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (PubChem CID 103128151) has the molecular formula C15H14BrClN4 and a molecular weight of 365.66 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
PubChem CID103128151
Molecular FormulaC15H14BrClN4
Molecular Weight365.66 g/mol
Exact Mass364.01
IUPAC Name2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCNC(Cc1ccc(Br)cc1Cl)c1cnn2ccncc12
InChIInChI=1S/C15H14BrClN4/c1-18-14(6-10-2-3-11(16)7-13(10)17)12-8-20-21-5-4-19-9-15(12)21/h2-5,7-9,14,18H,6H2,1H3
InChIKeyVHCHILAFDZDXGG-UHFFFAOYSA-N
XLogP3.65
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127264
2-(2-chlorophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126235
2-(4-bromophenyl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126121
2-(4-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126754
[2-(4-bromophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethyl]hydrazine
CID 103129414
2-(4-bromo-2-chlorophenyl)-1-(2,5-dichlorophenyl)-N-methylethanamine
CID 105037649
2-(4-bromo-2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-methylethanamine
CID 102804459
N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126562
2-(2-chloro-4-methylphenyl)-1-(3-chloro-4-pyridinyl)-N-methylethanamine
CID 106866140
2-(4-bromo-2-chlorophenyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105038060
2-(5-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126629
2-(4-bromo-2-chlorophenyl)-1-(3,5-dichlorophenyl)-N-methylethanamine
CID 105037983

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (CID 103128151) is 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is CNC(Cc1ccc(Br)cc1Cl)c1cnn2ccncc12.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The InChIKey is VHCHILAFDZDXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN4/c1-18-14(6-10-2-3-11(16)7-13(10)17)12-8-20-21-5-4-19-9-15(12)21/h2-5,7-9,14,18H,6H2,1H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine has a molecular weight of 365.66 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-N-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is sourced from PubChem (CID 103128151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).