4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol

C12H15N3O2 — CID 117338197

IUPAC4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol
SMILESCOc1cc(O)cc(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3O2/c1-7-4-8(16)5-10(17-3)11(7)9-6-14-15(2)12(9)13/h4-6,16H,13H2,1-3H3
InChIKeyCKVBNHOLOMPYGO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds2

About 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol

4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol (PubChem CID 117338197) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol
PubChem CID117338197
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol
SMILESCOc1cc(O)cc(C)c1-c1cnn(C)c1N
InChIInChI=1S/C12H15N3O2/c1-7-4-8(16)5-10(17-3)11(7)9-6-14-15(2)12(9)13/h4-6,16H,13H2,1-3H3
InChIKeyCKVBNHOLOMPYGO-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

5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
CID 117338196
4-(2,3-dimethoxy-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117407767
4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
CID 117422676
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350174
4-(3,5-dimethoxy-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117370777
2-(5-amino-1-methylpyrazol-4-yl)-5-bromo-3,6-dimethylphenol
CID 117477193
4-(3-bromo-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117477177
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
methyl 5-(5-amino-1-methylpyrazol-4-yl)-4-hydroxy-2-methoxybenzoate
CID 117443960
4-(5-chloro-2-methoxy-3,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418562
4-(6-chloro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117418547

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol (CID 117338197) is 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol is COc1cc(O)cc(C)c1-c1cnn(C)c1N.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol?
The InChIKey is CKVBNHOLOMPYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-4-8(16)5-10(17-3)11(7)9-6-14-15(2)12(9)13/h4-6,16H,13H2,1-3H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol?
4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-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 4-(5-amino-1-methylpyrazol-4-yl)-3-methoxy-5-methylphenol is sourced from PubChem (CID 117338197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).