(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine

C12H14BrN3O — CID 105148609

IUPAC(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1ccc(Br)c(C(N)c2ccnn2C)c1
InChIInChI=1S/C12H14BrN3O/c1-16-11(5-6-15-16)12(14)9-7-8(17-2)3-4-10(9)13/h3-7,12H,14H2,1-2H3
InChIKeyKISJPJFKEXMKLY-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.24
Rot. Bonds3

About (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine

(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 105148609) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID105148609
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine
SMILESCOc1ccc(Br)c(C(N)c2ccnn2C)c1
InChIInChI=1S/C12H14BrN3O/c1-16-11(5-6-15-16)12(14)9-7-8(17-2)3-4-10(9)13/h3-7,12H,14H2,1-2H3
InChIKeyKISJPJFKEXMKLY-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methanamine
CID 105148079
(2,4-dibromophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 107945853
2-bromo-5-methoxy-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106757879
(4-methoxythiophen-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 115858819
[(2-bromo-5-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307040
(2-bromo-5-methoxyphenyl)-(3-methoxyphenyl)methanamine
CID 105086328
(1S)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine
CID 130673057
(1R)-1-(2-bromo-5-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224399
1-(2,5-dimethoxyphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031048
(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963313
(1R,2R)-1-amino-1-(2-bromo-5-methoxyphenyl)propan-2-ol
CID 130969127
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine (CID 105148609) is (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine is COc1ccc(Br)c(C(N)c2ccnn2C)c1.
What is the InChIKey of (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is KISJPJFKEXMKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16-11(5-6-15-16)12(14)9-7-8(17-2)3-4-10(9)13/h3-7,12H,14H2,1-2H3.
What are the key properties of (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine?
(2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 296.17 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-methoxyphenyl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 105148609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).