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

C12H15N3O — CID 115112091

IUPAC2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol
SMILESCc1cc(C)c(-c2cn[nH]c2N)c(O)c1C
InChIInChI=1S/C12H15N3O/c1-6-4-7(2)10(11(16)8(6)3)9-5-14-15-12(9)13/h4-5,16H,1-3H3,(H3,13,14,15)
InChIKeyTZXQUYCNJZFEFB-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.29
Rot. Bonds1

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

2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol (PubChem CID 115112091) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol
PubChem CID115112091
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol
SMILESCc1cc(C)c(-c2cn[nH]c2N)c(O)c1C
InChIInChI=1S/C12H15N3O/c1-6-4-7(2)10(11(16)8(6)3)9-5-14-15-12(9)13/h4-5,16H,1-3H3,(H3,13,14,15)
InChIKeyTZXQUYCNJZFEFB-UHFFFAOYSA-N
XLogP2.29
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol
CID 117348179
3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
CID 117453130
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
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5,6-trimethylphenol
CID 115112089
2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol
CID 117291742
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine
CID 117317358
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721
4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol (CID 115112091) is 2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol is Cc1cc(C)c(-c2cn[nH]c2N)c(O)c1C.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol?
The InChIKey is TZXQUYCNJZFEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-6-4-7(2)10(11(16)8(6)3)9-5-14-15-12(9)13/h4-5,16H,1-3H3,(H3,13,14,15).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol?
2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol has a molecular weight of 217.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol is sourced from PubChem (CID 115112091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).