5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine

C12H14BrN3O — CID 82828534

IUPAC5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(OCc2cccc(Br)c2)c1N
InChIInChI=1S/C12H14BrN3O/c1-8-11(14)12(16(2)15-8)17-7-9-4-3-5-10(13)6-9/h3-6H,7,14H2,1-2H3
InChIKeyNNZJLOGLLYRKCQ-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.65
Rot. Bonds3

About 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine

5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine (PubChem CID 82828534) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine
PubChem CID82828534
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)c(OCc2cccc(Br)c2)c1N
InChIInChI=1S/C12H14BrN3O/c1-8-11(14)12(16(2)15-8)17-7-9-4-3-5-10(13)6-9/h3-6H,7,14H2,1-2H3
InChIKeyNNZJLOGLLYRKCQ-UHFFFAOYSA-N
XLogP2.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine (CID 82828534) is 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)c(OCc2cccc(Br)c2)c1N.
What is the InChIKey of 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine?
The InChIKey is NNZJLOGLLYRKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-8-11(14)12(16(2)15-8)17-7-9-4-3-5-10(13)6-9/h3-6H,7,14H2,1-2H3.
What are the key properties of 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine?
5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine has a molecular weight of 296.17 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methoxy]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 82828534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).