5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol

C12H15N3O2 — CID 117338196

IUPAC5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
SMILESCOc1cc(C)c(O)cc1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3O2/c1-7-4-11(17-3)8(5-10(7)16)9-6-14-15(2)12(9)13/h4-6,16H,13H2,1-3H3
InChIKeyHKQHKKPRHMEPSA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds2

About 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol

5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol (PubChem CID 117338196) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol.

Molecular Properties

Compound Name5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
PubChem CID117338196
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
SMILESCOc1cc(C)c(O)cc1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3O2/c1-7-4-11(17-3)8(5-10(7)16)9-6-14-15(2)12(9)13/h4-6,16H,13H2,1-3H3
InChIKeyHKQHKKPRHMEPSA-UHFFFAOYSA-N
XLogP1.69
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117422678
4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol
CID 117338197
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate
CID 117443960
4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
CID 117348200
4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
CID 117422676
4-(5-methoxy-4-methyl-2-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117476082
4-(2-methoxy-5-pyrrolidin-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117433956
2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
CID 117291763
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol?
The IUPAC name of 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol (CID 117338196) is 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol.
What is the SMILES notation for 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol?
The canonical SMILES for 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol is COc1cc(C)c(O)cc1-c1cnn(C)c1N.
What is the InChIKey of 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol?
The InChIKey is HKQHKKPRHMEPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-4-11(17-3)8(5-10(7)16)9-6-14-15(2)12(9)13/h4-6,16H,13H2,1-3H3.
What are the key properties of 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol?
5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol has a molecular weight of 233.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol is sourced from PubChem (CID 117338196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).