3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

C12H13ClFN3O — CID 117427225

IUPAC3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)cc(F)c(Cl)c1-c1cc(N)n(C)n1
InChIInChI=1S/C12H13ClFN3O/c1-6-4-7(14)11(13)10(12(6)18-3)8-5-9(15)17(2)16-8/h4-5H,15H2,1-3H3
InChIKeyHQPJBYDZOVFGEC-UHFFFAOYSA-N
MW269.71 g/mol
LogP2.78
Rot. Bonds2

About 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine

3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117427225) has the molecular formula C12H13ClFN3O and a molecular weight of 269.71 g/mol. Its IUPAC name is 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
PubChem CID117427225
Molecular FormulaC12H13ClFN3O
Molecular Weight269.71 g/mol
Exact Mass269.07
IUPAC Name3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
SMILESCOc1c(C)cc(F)c(Cl)c1-c1cc(N)n(C)n1
InChIInChI=1S/C12H13ClFN3O/c1-6-4-7(14)11(13)10(12(6)18-3)8-5-9(15)17(2)16-8/h4-5H,15H2,1-3H3
InChIKeyHQPJBYDZOVFGEC-UHFFFAOYSA-N
XLogP2.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-bromo-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117499176
3-(5-chloro-2,3-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117436877
3-(4-chloro-2,3-dimethoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117452274
3-(6-bromo-2-methoxy-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117477136
3-(2-methoxy-3-methyl-6-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117413350
3-(5-fluoro-3-methoxy-2,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117376002
3-(3-chloro-2,6-difluorophenyl)-1-methylpyrazol-5-amine
CID 117361022
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112019
2-(5-amino-1-methylpyrazol-3-yl)-6-chloro-3,5-dimethylphenol
CID 136942179

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine (CID 117427225) is 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is COc1c(C)cc(F)c(Cl)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is HQPJBYDZOVFGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3O/c1-6-4-7(14)11(13)10(12(6)18-3)8-5-9(15)17(2)16-8/h4-5H,15H2,1-3H3.
What are the key properties of 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine?
3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 269.71 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117427225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).