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

C11H12ClN3O — CID 117348200

IUPAC4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
SMILESCc1cc(O)c(Cl)cc1-c1cnn(C)c1N
InChIInChI=1S/C11H12ClN3O/c1-6-3-10(16)9(12)4-7(6)8-5-14-15(2)11(8)13/h3-5,16H,13H2,1-2H3
InChIKeySQJDROIQEXZDMJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.34
Rot. Bonds1

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

4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol (PubChem CID 117348200) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol.

Molecular Properties

Compound Name4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
PubChem CID117348200
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
SMILESCc1cc(O)c(Cl)cc1-c1cnn(C)c1N
InChIInChI=1S/C11H12ClN3O/c1-6-3-10(16)9(12)4-7(6)8-5-14-15(2)11(8)13/h3-5,16H,13H2,1-2H3
InChIKeySQJDROIQEXZDMJ-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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Related Compounds

2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
CID 117334699
3-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol
CID 117348192
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-methylphenol
CID 117348202
4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
CID 117422676
2-(5-amino-1-methylpyrazol-4-yl)-4-methylphenol
CID 117291763
5-(5-amino-1-methylpyrazol-4-yl)-4-methoxy-2-methylphenol
CID 117338196
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol?
The IUPAC name of 4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol (CID 117348200) is 4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol.
What is the SMILES notation for 4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol?
The canonical SMILES for 4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol is Cc1cc(O)c(Cl)cc1-c1cnn(C)c1N.
What is the InChIKey of 4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol?
The InChIKey is SQJDROIQEXZDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-6-3-10(16)9(12)4-7(6)8-5-14-15(2)11(8)13/h3-5,16H,13H2,1-2H3.
What are the key properties of 4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol?
4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-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 4-(5-amino-1-methylpyrazol-4-yl)-2-chloro-5-methylphenol is sourced from PubChem (CID 117348200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).