2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol

C11H12BrN3O3 — CID 117499099

IUPAC2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
SMILESCOc1cc(Br)c(O)c(-c2cn[nH]c2N)c1OC
InChIInChI=1S/C11H12BrN3O3/c1-17-7-3-6(12)9(16)8(10(7)18-2)5-4-14-15-11(5)13/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyKCKPYXABJWUZAP-UHFFFAOYSA-N
MW314.14 g/mol
LogP2.14
Rot. Bonds3

About 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol

2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol (PubChem CID 117499099) has the molecular formula C11H12BrN3O3 and a molecular weight of 314.14 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
PubChem CID117499099
Molecular FormulaC11H12BrN3O3
Molecular Weight314.14 g/mol
Exact Mass313.01
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
SMILESCOc1cc(Br)c(O)c(-c2cn[nH]c2N)c1OC
InChIInChI=1S/C11H12BrN3O3/c1-17-7-3-6(12)9(16)8(10(7)18-2)5-4-14-15-11(5)13/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyKCKPYXABJWUZAP-UHFFFAOYSA-N
XLogP2.14
TPSA93.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
3-(5-amino-1H-pyrazol-4-yl)-4-fluoro-5-methoxybenzene-1,2-diol
CID 117350062
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663
4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452223
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721
4-(6-bromo-3-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117460558
3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
CID 117453130
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol (CID 117499099) is 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol is COc1cc(Br)c(O)c(-c2cn[nH]c2N)c1OC.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol?
The InChIKey is KCKPYXABJWUZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O3/c1-17-7-3-6(12)9(16)8(10(7)18-2)5-4-14-15-11(5)13/h3-4,16H,1-2H3,(H3,13,14,15).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol?
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol has a molecular weight of 314.14 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol is sourced from PubChem (CID 117499099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).