3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine

C11H12BrN3O — CID 103079210

IUPAC3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN3O/c1-15-6-10(13)11(14-15)16-7-8-2-4-9(12)5-3-8/h2-6H,7,13H2,1H3
InChIKeyAVYQRECDGBBEBQ-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.34
Rot. Bonds3

About 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine

3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine (PubChem CID 103079210) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine
PubChem CID103079210
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine
SMILESCn1cc(N)c(OCc2ccc(Br)cc2)n1
InChIInChI=1S/C11H12BrN3O/c1-15-6-10(13)11(14-15)16-7-8-2-4-9(12)5-3-8/h2-6H,7,13H2,1H3
InChIKeyAVYQRECDGBBEBQ-UHFFFAOYSA-N
XLogP2.34
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,4-dibromophenoxy)-1-methylpyrazol-4-amine
CID 103079177
1-methyl-3-propoxypyrazol-4-amine;hydrochloride
CID 102565575
3-(cyclopropylmethoxy)-1-methylpyrazol-4-amine
CID 103079090
4-[(4-bromophenyl)methoxy]-5-chloropyrimidin-2-amine
CID 82825368
3-(3-bromophenoxy)-1-methylpyrazol-4-amine
CID 103079054
4-iodo-1-methyl-3-phenylmethoxypyrazole
CID 70813033
methyl 5-amino-6-[(4-bromophenyl)methoxy]pyridine-2-carboxylate
CID 114409174
3-amino-2-[(4-bromophenyl)methoxy]pyridine-4-carbonitrile
CID 82828614
1-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-amine
CID 103079138
3-(2-bromo-4-chlorophenoxy)-1-methylpyrazol-4-amine
CID 103079063
4-[(4-bromophenyl)methoxy]-6-chloro-5-methoxypyrimidine
CID 82823540
1-methyl-3-(oxan-4-ylmethoxy)pyrazol-4-amine
CID 103079156

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine?
The IUPAC name of 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine (CID 103079210) is 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine is Cn1cc(N)c(OCc2ccc(Br)cc2)n1.
What is the InChIKey of 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine?
The InChIKey is AVYQRECDGBBEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-15-6-10(13)11(14-15)16-7-8-2-4-9(12)5-3-8/h2-6H,7,13H2,1H3.
What are the key properties of 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine?
3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine has a molecular weight of 282.14 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methoxy]-1-methylpyrazol-4-amine is sourced from PubChem (CID 103079210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).