4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine

C11H12BrN3O2 — CID 117479828

IUPAC4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(Br)cc(-c2cn[nH]c2N)c1OC
InChIInChI=1S/C11H12BrN3O2/c1-16-9-4-6(12)3-7(10(9)17-2)8-5-14-15-11(8)13/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyUEXXKTVQKXZCAH-UHFFFAOYSA-N
MW298.14 g/mol
LogP2.44
Rot. Bonds3

About 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine

4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine (PubChem CID 117479828) has the molecular formula C11H12BrN3O2 and a molecular weight of 298.14 g/mol. Its IUPAC name is 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
PubChem CID117479828
Molecular FormulaC11H12BrN3O2
Molecular Weight298.14 g/mol
Exact Mass297.01
IUPAC Name4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(Br)cc(-c2cn[nH]c2N)c1OC
InChIInChI=1S/C11H12BrN3O2/c1-16-9-4-6(12)3-7(10(9)17-2)8-5-14-15-11(8)13/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyUEXXKTVQKXZCAH-UHFFFAOYSA-N
XLogP2.44
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494952
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117455217
4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
4-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-amine
CID 117401937
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine (CID 117479828) is 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine is COc1cc(Br)cc(-c2cn[nH]c2N)c1OC.
What is the InChIKey of 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine?
The InChIKey is UEXXKTVQKXZCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-16-9-4-6(12)3-7(10(9)17-2)8-5-14-15-11(8)13/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine?
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine has a molecular weight of 298.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117479828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).