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

C11H12ClN3O — CID 117348179

IUPAC2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol
SMILESCc1cc(Cl)c(C)c(O)c1-c1cn[nH]c1N
InChIInChI=1S/C11H12ClN3O/c1-5-3-8(12)6(2)10(16)9(5)7-4-14-15-11(7)13/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyVLPFXPMBLPBHSC-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.63
Rot. Bonds1

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

2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol (PubChem CID 117348179) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol
PubChem CID117348179
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol
SMILESCc1cc(Cl)c(C)c(O)c1-c1cn[nH]c1N
InChIInChI=1S/C11H12ClN3O/c1-5-3-8(12)6(2)10(16)9(5)7-4-14-15-11(7)13/h3-4,16H,1-2H3,(H3,13,14,15)
InChIKeyVLPFXPMBLPBHSC-UHFFFAOYSA-N
XLogP2.63
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-amino-1H-pyrazol-4-yl)-3,5,6-trimethylphenol
CID 115112091
3-(5-amino-1H-pyrazol-4-yl)-4-bromo-2,6-dimethylphenol
CID 117453130
4-(6-chloro-2,3-dimethylphenyl)-1H-pyrazol-5-amine
CID 117317358
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)-6-chloro-3,4-difluorophenol
CID 117366441
2-(5-amino-1H-pyrazol-4-yl)-3-fluoro-6-methylphenol
CID 117295542
2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663
4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
CID 117348168
3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117397370

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol (CID 117348179) is 2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol is Cc1cc(Cl)c(C)c(O)c1-c1cn[nH]c1N.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol?
The InChIKey is VLPFXPMBLPBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-5-3-8(12)6(2)10(16)9(5)7-4-14-15-11(7)13/h3-4,16H,1-2H3,(H3,13,14,15).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol?
2-(5-amino-1H-pyrazol-4-yl)-5-chloro-3,6-dimethylphenol has a molecular weight of 237.69 g/mol, XLogP of 2.63, 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)-5-chloro-3,6-dimethylphenol is sourced from PubChem (CID 117348179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).