[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine

C11H12BrN3O — CID 115051853

IUPAC[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
SMILESCOc1ccc(-n2ncc(CN)c2Br)cc1
InChIInChI=1S/C11H12BrN3O/c1-16-10-4-2-9(3-5-10)15-11(12)8(6-13)7-14-15/h2-5,7H,6,13H2,1H3
InChIKeyRFKJVVHJSLDDGU-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.10
Rot. Bonds3

About [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine

[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine (PubChem CID 115051853) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
PubChem CID115051853
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine
SMILESCOc1ccc(-n2ncc(CN)c2Br)cc1
InChIInChI=1S/C11H12BrN3O/c1-16-10-4-2-9(3-5-10)15-11(12)8(6-13)7-14-15/h2-5,7H,6,13H2,1H3
InChIKeyRFKJVVHJSLDDGU-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051851
4-(bromomethyl)-5-ethyl-1-(4-methoxyphenyl)pyrazole
CID 66439466
1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine
CID 170894623
[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol
CID 21418305
5-ethyl-1-(4-methoxyphenyl)pyrazol-4-amine
CID 66441037
2-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethanol
CID 105490895
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 115069138
2-[5-methoxy-1-(4-methoxyphenyl)pyrazol-4-yl]ethanol
CID 115069112
5-bromo-1-(4-methoxyphenyl)pyrazole
CID 79020309
4-[(dipropylamino)methyl]-1-(4-methoxyphenyl)pyrazol-5-amine
CID 82171687
[1-(4-bromophenyl)-5-fluoropyrazol-4-yl]methanamine
CID 115050299
2-amino-3-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]propan-1-ol;hydrochloride
CID 170892802

Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine (CID 115051853) is [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine is COc1ccc(-n2ncc(CN)c2Br)cc1.
What is the InChIKey of [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine?
The InChIKey is RFKJVVHJSLDDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-16-10-4-2-9(3-5-10)15-11(12)8(6-13)7-14-15/h2-5,7H,6,13H2,1H3.
What are the key properties of [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine?
[5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine has a molecular weight of 282.14 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-1-(4-methoxyphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 115051853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).