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

C12H15N3O2 — CID 117338166

IUPAC2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
SMILESCOc1cc(C)c(C)c(-c2cn[nH]c2N)c1O
InChIInChI=1S/C12H15N3O2/c1-6-4-9(17-3)11(16)10(7(6)2)8-5-14-15-12(8)13/h4-5,16H,1-3H3,(H3,13,14,15)
InChIKeyMOZXAEYBDFXBDL-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.99
Rot. Bonds2

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

2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol (PubChem CID 117338166) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
PubChem CID117338166
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
SMILESCOc1cc(C)c(C)c(-c2cn[nH]c2N)c1O
InChIInChI=1S/C12H15N3O2/c1-6-4-9(17-3)11(16)10(7(6)2)8-5-14-15-12(8)13/h4-5,16H,1-3H3,(H3,13,14,15)
InChIKeyMOZXAEYBDFXBDL-UHFFFAOYSA-N
XLogP1.99
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721
2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol
CID 115112091
4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
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
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
CID 117453130
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3-(trifluoromethyl)phenol
CID 117435222
2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol
CID 117291742
2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol
CID 117348179
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5,6-trimethylphenol
CID 115112089

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol (CID 117338166) is 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol is COc1cc(C)c(C)c(-c2cn[nH]c2N)c1O.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol?
The InChIKey is MOZXAEYBDFXBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-6-4-9(17-3)11(16)10(7(6)2)8-5-14-15-12(8)13/h4-5,16H,1-3H3,(H3,13,14,15).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol?
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol has a molecular weight of 233.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol is sourced from PubChem (CID 117338166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).