N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

C17H18BrN5O — CID 133284460

IUPACN-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCCOc3ccc(Br)cc3)n2)n1
InChIInChI=1S/C17H18BrN5O/c1-12-9-13(2)23(22-12)17-11-19-10-16(21-17)20-7-8-24-15-5-3-14(18)4-6-15/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)
InChIKeyCRATYJMTUMWXSV-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.53
Rot. Bonds6

About N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine

N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (PubChem CID 133284460) has the molecular formula C17H18BrN5O and a molecular weight of 388.27 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
PubChem CID133284460
Molecular FormulaC17H18BrN5O
Molecular Weight388.27 g/mol
Exact Mass387.07
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
SMILESCc1cc(C)n(-c2cncc(NCCOc3ccc(Br)cc3)n2)n1
InChIInChI=1S/C17H18BrN5O/c1-12-9-13(2)23(22-12)17-11-19-10-16(21-17)20-7-8-24-15-5-3-14(18)4-6-15/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)
InChIKeyCRATYJMTUMWXSV-UHFFFAOYSA-N
XLogP3.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-difluorophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133291797
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]pyrazin-2-amine
CID 133366343
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133284649
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetic acid
CID 122047288
6-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylthiophen-2-yl)methyl]pyrazin-2-amine
CID 133283429
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133347496
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 166183273
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-nitrophenyl)ethyl]pyrazin-2-amine
CID 133283995
N-[2-(4-bromophenoxy)ethyl]pyrazin-2-amine
CID 133276769
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrazin-2-amine
CID 133285009
N-[2-(1,3-benzothiazol-2-yl)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine
CID 133426347
N-benzyl-3-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]propanamide
CID 133284708

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine (CID 133284460) is N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is Cc1cc(C)n(-c2cncc(NCCOc3ccc(Br)cc3)n2)n1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
The InChIKey is CRATYJMTUMWXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN5O/c1-12-9-13(2)23(22-12)17-11-19-10-16(21-17)20-7-8-24-15-5-3-14(18)4-6-15/h3-6,9-11H,7-8H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine?
N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine has a molecular weight of 388.27 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-amine is sourced from PubChem (CID 133284460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).