[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine

C11H12BrN3O — CID 115051851

IUPAC[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
SMILESCOc1cccc(-n2ncc(CN)c2Br)c1
InChIInChI=1S/C11H12BrN3O/c1-16-10-4-2-3-9(5-10)15-11(12)8(6-13)7-14-15/h2-5,7H,6,13H2,1H3
InChIKeyPYFNRTZTIGRXIZ-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.10
Rot. Bonds3

About [5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine

[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine (PubChem CID 115051851) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is [5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
PubChem CID115051851
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name[5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine
SMILESCOc1cccc(-n2ncc(CN)c2Br)c1
InChIInChI=1S/C11H12BrN3O/c1-16-10-4-2-3-9(5-10)15-11(12)8(6-13)7-14-15/h2-5,7H,6,13H2,1H3
InChIKeyPYFNRTZTIGRXIZ-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-(4-methoxyphenyl)pyrazol-4-yl]methanamine
CID 115051853
[1-(3-methoxyphenyl)-5-propylpyrazol-4-yl]methanamine
CID 114798972
[5-bromo-1-[4-(3-methoxyphenyl)phenyl]pyrazol-4-yl]methanol
CID 21418305
4-(bromomethyl)-5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole
CID 114799005
5-bromo-1-(3-methoxyphenyl)pyrazole
CID 112693887
[1-(3-bromophenyl)-5-ethylpyrazol-4-yl]methanamine
CID 66440713
4-(chloromethyl)-5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazole
CID 114799000
[1-(3-bromophenyl)-5-chloropyrazol-4-yl]methanamine
CID 115052372
[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 105489897
3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine
CID 115053250
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796
N-[[1-(3-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82527947

Frequently Asked Questions

What is the IUPAC name of [5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine?
The IUPAC name of [5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine (CID 115051851) is [5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine is COc1cccc(-n2ncc(CN)c2Br)c1.
What is the InChIKey of [5-bromo-1-(3-methoxyphenyl)pyrazol-4-yl]methanamine?
The InChIKey is PYFNRTZTIGRXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-16-10-4-2-3-9(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-(3-methoxyphenyl)pyrazol-4-yl]methanamine?
[5-bromo-1-(3-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-(3-methoxyphenyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 115051851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).