4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine

C12H8BrN3O — CID 104730194

IUPAC4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine
SMILESBrc1cccc(Oc2nccn3nccc23)c1
InChIInChI=1S/C12H8BrN3O/c13-9-2-1-3-10(8-9)17-12-11-4-5-15-16(11)7-6-14-12/h1-8H
InChIKeyGDRMZPBGIPNXOP-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.28
Rot. Bonds2

About 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine

4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine (PubChem CID 104730194) has the molecular formula C12H8BrN3O and a molecular weight of 290.12 g/mol. Its IUPAC name is 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine
PubChem CID104730194
Molecular FormulaC12H8BrN3O
Molecular Weight290.12 g/mol
Exact Mass288.99
IUPAC Name4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine
SMILESBrc1cccc(Oc2nccn3nccc23)c1
InChIInChI=1S/C12H8BrN3O/c13-9-2-1-3-10(8-9)17-12-11-4-5-15-16(11)7-6-14-12/h1-8H
InChIKeyGDRMZPBGIPNXOP-UHFFFAOYSA-N
XLogP3.28
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenoxy)pyrazolo[1,5-a]pyrazine
CID 104730206
3-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732148
2-(3-bromophenoxy)pyridin-3-amine
CID 16782330
5-pyrazolo[1,5-a]pyrazin-4-yloxypyridine-3-carboxylic acid
CID 104733277
3-chloro-2-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 107718013
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methoxyphenoxy]pyrazolo[1,5-a]pyrazine
CID 118488441
2-(3-bromophenoxy)-3-chloropyridine-4-carbonitrile
CID 107058844
3-methyl-4-pyrazolo[1,5-a]pyrazin-4-yloxyaniline
CID 104732228
[2-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61258163
3-(3-bromophenoxy)pyrazine-2-carboxamide
CID 62684983
5-bromo-2-(3-bromophenoxy)pyridin-3-amine
CID 61228290
3-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxybenzoic acid
CID 104733247

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine (CID 104730194) is 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine is Brc1cccc(Oc2nccn3nccc23)c1.
What is the InChIKey of 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine?
The InChIKey is GDRMZPBGIPNXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O/c13-9-2-1-3-10(8-9)17-12-11-4-5-15-16(11)7-6-14-12/h1-8H.
What are the key properties of 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine?
4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine has a molecular weight of 290.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104730194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).