[5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine

C14H13BrN4O — CID 104733340

IUPAC[5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine
SMILESCc1cc2c(Oc3ccc(Br)cc3CN)nccn2n1
InChIInChI=1S/C14H13BrN4O/c1-9-6-12-14(17-4-5-19(12)18-9)20-13-3-2-11(15)7-10(13)8-16/h2-7H,8,16H2,1H3
InChIKeyDWVAKEFCFQGOCU-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.05
Rot. Bonds3

About [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine

[5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine (PubChem CID 104733340) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine
PubChem CID104733340
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name[5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine
SMILESCc1cc2c(Oc3ccc(Br)cc3CN)nccn2n1
InChIInChI=1S/C14H13BrN4O/c1-9-6-12-14(17-4-5-19(12)18-9)20-13-3-2-11(15)7-10(13)8-16/h2-7H,8,16H2,1H3
InChIKeyDWVAKEFCFQGOCU-UHFFFAOYSA-N
XLogP3.05
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy-3-prop-2-enylaniline
CID 104732214
2-methyl-6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732175
5-methyl-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
CID 104733266
[5-bromo-2-[(3-chloro-2-pyridinyl)oxy]phenyl]methanamine
CID 83145645
4-(3-bromo-5-fluorophenoxy)-2-methylpyrazolo[1,5-a]pyrazine
CID 104730236
[5-bromo-2-(4-bromo-2-methylphenoxy)phenyl]methanamine
CID 114889929
N-methyl-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732962
2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732194
3-chloro-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 107717892
[5-bromo-2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]methanamine
CID 83146354
[2-(2,4-dibromophenoxy)-3-pyridinyl]methanamine
CID 64719510
[5-bromo-2-(3,4-dimethylphenoxy)phenyl]methanamine
CID 114889855

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine?
The IUPAC name of [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine (CID 104733340) is [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine is Cc1cc2c(Oc3ccc(Br)cc3CN)nccn2n1.
What is the InChIKey of [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine?
The InChIKey is DWVAKEFCFQGOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-9-6-12-14(17-4-5-19(12)18-9)20-13-3-2-11(15)7-10(13)8-16/h2-7H,8,16H2,1H3.
What are the key properties of [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine?
[5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine has a molecular weight of 333.19 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 104733340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).