3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol

C11H12FN3O — CID 117315527

IUPAC3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
SMILESCc1cc(O)c(F)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C11H12FN3O/c1-6-3-7(11(12)9(16)4-6)8-5-10(13)15(2)14-8/h3-5,16H,13H2,1-2H3
InChIKeyOLOHWTFCCWGJJY-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.82
Rot. Bonds1

About 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol

3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol (PubChem CID 117315527) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol.

Molecular Properties

Compound Name3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
PubChem CID117315527
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol
SMILESCc1cc(O)c(F)c(-c2cc(N)n(C)n2)c1
InChIInChI=1S/C11H12FN3O/c1-6-3-7(11(12)9(16)4-6)8-5-10(13)15(2)14-8/h3-5,16H,13H2,1-2H3
InChIKeyOLOHWTFCCWGJJY-UHFFFAOYSA-N
XLogP1.82
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-2-fluoro-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117456804
2-(5-amino-1-methylpyrazol-3-yl)-6-tert-butyl-4-methylphenol
CID 136963399
4-(5-amino-1-methylpyrazol-3-yl)-2,3-dimethylphenol
CID 137013104
3-(4-chloro-2,3,5-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112010
3-(5-amino-1-methylpyrazol-3-yl)-5-bromobenzene-1,2-diol
CID 136931137
2-(5-amino-1-methylpyrazol-3-yl)-4-chloro-6-fluorophenol
CID 136952320
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(2-chloro-3-methoxy-5-methylphenyl)-1-methylpyrazol-5-amine
CID 117382584
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-(5-amino-1-methylpyrazol-3-yl)-2,6-dimethylphenol
CID 117309663
1-methyl-3-(4-methyl-2-methylsulfanylphenyl)pyrazol-5-amine
CID 117338986
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol?
The IUPAC name of 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol (CID 117315527) is 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol.
What is the SMILES notation for 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol?
The canonical SMILES for 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol is Cc1cc(O)c(F)c(-c2cc(N)n(C)n2)c1.
What is the InChIKey of 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol?
The InChIKey is OLOHWTFCCWGJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-3-7(11(12)9(16)4-6)8-5-10(13)15(2)14-8/h3-5,16H,13H2,1-2H3.
What are the key properties of 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol?
3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol has a molecular weight of 221.23 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1-methylpyrazol-3-yl)-2-fluoro-5-methylphenol is sourced from PubChem (CID 117315527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).