4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol

C12H15N3O — CID 137013104

IUPAC4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(-c2cc(N)n(C)n2)c1C
InChIInChI=1S/C12H15N3O/c1-7-8(2)11(16)5-4-9(7)10-6-12(13)15(3)14-10/h4-6,16H,13H2,1-3H3
InChIKeyCBFMJIBEXZTWNI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.99
Rot. Bonds1

About 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol

4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol (PubChem CID 137013104) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
PubChem CID137013104
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
SMILESCc1c(O)ccc(-c2cc(N)n(C)n2)c1C
InChIInChI=1S/C12H15N3O/c1-7-8(2)11(16)5-4-9(7)10-6-12(13)15(3)14-10/h4-6,16H,13H2,1-3H3
InChIKeyCBFMJIBEXZTWNI-UHFFFAOYSA-N
XLogP1.99
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663
2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol
CID 137013099
4-(5-amino-1-methylpyrazol-3-yl)-6-methoxy-2,3-dimethylphenol
CID 136997969
3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
CID 117315527
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
1-methyl-3-(4-methyl-1,3-benzodioxol-5-yl)pyrazol-5-amine
CID 117334125
4-(5-amino-1-methylpyrazol-3-yl)-2-chlorophenol
CID 136968433
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986
4-(3-amino-1H-pyrazol-5-yl)-2,3-dimethylphenol
CID 136998614
4-(5-amino-1-methylpyrazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 137003446
5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol
CID 136968549
4-(5-amino-1-methylpyrazol-3-yl)-5-bromo-2-methoxyphenol
CID 136966320

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol (CID 137013104) is 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol is Cc1c(O)ccc(-c2cc(N)n(C)n2)c1C.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol?
The InChIKey is CBFMJIBEXZTWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7-8(2)11(16)5-4-9(7)10-6-12(13)15(3)14-10/h4-6,16H,13H2,1-3H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol?
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol has a molecular weight of 217.27 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol is sourced from PubChem (CID 137013104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).