2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol

C11H12ClN3O — CID 117348202

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
SMILESCc1cc(Cl)cc(-c2cnn(C)c2N)c1O
InChIInChI=1S/C11H12ClN3O/c1-6-3-7(12)4-8(10(6)16)9-5-14-15(2)11(9)13/h3-5,16H,13H2,1-2H3
InChIKeyMXYDMZLONTWXPP-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.34
Rot. Bonds1

About 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol

2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol (PubChem CID 117348202) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
PubChem CID117348202
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
SMILESCc1cc(Cl)cc(-c2cnn(C)c2N)c1O
InChIInChI=1S/C11H12ClN3O/c1-6-3-7(12)4-8(10(6)16)9-5-14-15(2)11(9)13/h3-5,16H,13H2,1-2H3
InChIKeyMXYDMZLONTWXPP-UHFFFAOYSA-N
XLogP2.34
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol (CID 117348202) is 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol is Cc1cc(Cl)cc(-c2cnn(C)c2N)c1O.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol?
The InChIKey is MXYDMZLONTWXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-6-3-7(12)4-8(10(6)16)9-5-14-15(2)11(9)13/h3-5,16H,13H2,1-2H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol?
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol has a molecular weight of 237.69 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol is sourced from PubChem (CID 117348202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).