5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine

C11H12BrN3O — CID 117453081

IUPAC5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(C)c(-c2cc(N)n[nH]2)c1Br
InChIInChI=1S/C11H12BrN3O/c1-6-3-4-8(16-2)11(12)10(6)7-5-9(13)15-14-7/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyFRDCSDSLAXHNBC-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.74
Rot. Bonds2

About 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine

5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 117453081) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
PubChem CID117453081
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1ccc(C)c(-c2cc(N)n[nH]2)c1Br
InChIInChI=1S/C11H12BrN3O/c1-6-3-4-8(16-2)11(12)10(6)7-5-9(13)15-14-7/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyFRDCSDSLAXHNBC-UHFFFAOYSA-N
XLogP2.74
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117496845
2-(3-amino-1H-pyrazol-5-yl)-3-methoxy-6-methylphenol
CID 136993746
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747
4-(2-bromo-3-methoxy-6-methylphenyl)-1,2-oxazol-5-amine
CID 117454876
5-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117422703
5-(2,4-dimethoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 3452215
5-(3-amino-1H-pyrazol-5-yl)-2-methoxyphenol
CID 130019057
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 115111588
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117348125
2-bromo-6-methoxy-3-methylaniline
CID 84784559

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine (CID 117453081) is 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine is COc1ccc(C)c(-c2cc(N)n[nH]2)c1Br.
What is the InChIKey of 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is FRDCSDSLAXHNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-6-3-4-8(16-2)11(12)10(6)7-5-9(13)15-14-7/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine?
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 282.14 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117453081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).