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

C11H13N3O — CID 117291742

IUPAC2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol
SMILESCc1ccc(O)c(-c2cn[nH]c2N)c1C
InChIInChI=1S/C11H13N3O/c1-6-3-4-9(15)10(7(6)2)8-5-13-14-11(8)12/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyDQEATRDFFJZJFD-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.98
Rot. Bonds1

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

2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol (PubChem CID 117291742) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol
PubChem CID117291742
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol
SMILESCc1ccc(O)c(-c2cn[nH]c2N)c1C
InChIInChI=1S/C11H13N3O/c1-6-3-4-9(15)10(7(6)2)8-5-13-14-11(8)12/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyDQEATRDFFJZJFD-UHFFFAOYSA-N
XLogP1.98
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine
CID 117317358
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol
CID 115112091
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(2,6-difluoro-3-methylphenyl)-1H-pyrazol-5-amine
CID 117298239
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
CID 117453130
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3,5,6-trimethylphenol
CID 115112089
2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol
CID 117348179
6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol
CID 117312168
2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol
CID 117311058
2-(2-hydroxy-4-methylphenyl)-3,4-dimethylphenol
CID 101299239

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol (CID 117291742) is 2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol is Cc1ccc(O)c(-c2cn[nH]c2N)c1C.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol?
The InChIKey is DQEATRDFFJZJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-3-4-9(15)10(7(6)2)8-5-13-14-11(8)12/h3-5,15H,1-2H3,(H3,12,13,14).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol?
2-(5-amino-1H-pyrazol-4-yl)-3,4-dimethylphenol has a molecular weight of 203.25 g/mol, XLogP of 1.98, 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)-3,4-dimethylphenol is sourced from PubChem (CID 117291742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).