6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol

C11H13N3O2 — CID 117312168

IUPAC6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)ccc(-c2cn[nH]c2N)c1O
InChIInChI=1S/C11H13N3O2/c1-6-3-4-7(9(15)10(6)16-2)8-5-13-14-11(8)12/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyUYYWRMZBANDGOA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds2

About 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol

6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol (PubChem CID 117312168) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol
PubChem CID117312168
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)ccc(-c2cn[nH]c2N)c1O
InChIInChI=1S/C11H13N3O2/c1-6-3-4-7(9(15)10(6)16-2)8-5-13-14-11(8)12/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyUYYWRMZBANDGOA-UHFFFAOYSA-N
XLogP1.68
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
3-(5-amino-1H-pyrazol-4-yl)-6-fluorobenzene-1,2-diol
CID 117298182
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol
CID 117291742
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
5-(5-amino-1H-pyrazol-4-yl)-1-benzothiophen-4-ol
CID 117334249
4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine
CID 117328786
5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
CID 117311798
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol?
The IUPAC name of 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol (CID 117312168) is 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol.
What is the SMILES notation for 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol?
The canonical SMILES for 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol is COc1c(C)ccc(-c2cn[nH]c2N)c1O.
What is the InChIKey of 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol?
The InChIKey is UYYWRMZBANDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-3-4-7(9(15)10(6)16-2)8-5-13-14-11(8)12/h3-5,15H,1-2H3,(H3,12,13,14).
What are the key properties of 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol?
6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol has a molecular weight of 219.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol is sourced from PubChem (CID 117312168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).