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

C11H13N3O — CID 117291747

IUPAC2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2cn[nH]c2N)cc1C
InChIInChI=1S/C11H13N3O/c1-6-3-8(10(15)4-7(6)2)9-5-13-14-11(9)12/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyWYYXGPAEKOOJSO-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.98
Rot. Bonds1

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

2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol (PubChem CID 117291747) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
PubChem CID117291747
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
SMILESCc1cc(O)c(-c2cn[nH]c2N)cc1C
InChIInChI=1S/C11H13N3O/c1-6-3-8(10(15)4-7(6)2)9-5-13-14-11(9)12/h3-5,15H,1-2H3,(H3,12,13,14)
InChIKeyWYYXGPAEKOOJSO-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 ≤ 500203.24
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol (CID 117291747) is 2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol is Cc1cc(O)c(-c2cn[nH]c2N)cc1C.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol?
The InChIKey is WYYXGPAEKOOJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-3-8(10(15)4-7(6)2)9-5-13-14-11(9)12/h3-5,15H,1-2H3,(H3,12,13,14).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol?
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol has a molecular weight of 203.24 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)-4,5-dimethylphenol is sourced from PubChem (CID 117291747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).