2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol

C11H11F2N3O2 — CID 117390500

IUPAC2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(F)c(O)c1-c1cnn(C)c1N
InChIInChI=1S/C11H11F2N3O2/c1-16-11(14)5(4-15-16)8-9(17)6(12)3-7(13)10(8)18-2/h3-4,17H,14H2,1-2H3
InChIKeyLXGGIHAYIQFBLH-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.66
Rot. Bonds2

About 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol

2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol (PubChem CID 117390500) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol.

Molecular Properties

Compound Name2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
PubChem CID117390500
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol
SMILESCOc1c(F)cc(F)c(O)c1-c1cnn(C)c1N
InChIInChI=1S/C11H11F2N3O2/c1-16-11(14)5(4-15-16)8-9(17)6(12)3-7(13)10(8)18-2/h3-4,17H,14H2,1-2H3
InChIKeyLXGGIHAYIQFBLH-UHFFFAOYSA-N
XLogP1.66
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4,6-difluoro-2,3-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426013
4-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)-1-methylpyrazol-5-amine
CID 117416685
4-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117499160
4-(3-fluoro-2-methoxy-6-methylphenyl)-1-methylpyrazol-5-amine
CID 117342062
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117375989
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-(2,4-difluoro-6-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350174
3-(5-amino-1-methylpyrazol-4-yl)-5-chloro-2-methoxy-4-methylphenol
CID 117422675
4-(5-amino-1-methylpyrazol-4-yl)-3-chloro-2-methoxy-5-methylphenol
CID 117422676
4-(2,4-difluoro-3,5-dimethoxyphenyl)-1-methylpyrazol-5-amine
CID 117426009
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol?
The IUPAC name of 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol (CID 117390500) is 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol.
What is the SMILES notation for 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol?
The canonical SMILES for 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol is COc1c(F)cc(F)c(O)c1-c1cnn(C)c1N.
What is the InChIKey of 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol?
The InChIKey is LXGGIHAYIQFBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c1-16-11(14)5(4-15-16)8-9(17)6(12)3-7(13)10(8)18-2/h3-4,17H,14H2,1-2H3.
What are the key properties of 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol?
2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol has a molecular weight of 255.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-methylpyrazol-4-yl)-4,6-difluoro-3-methoxyphenol is sourced from PubChem (CID 117390500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).