3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol

C16H14FN3O — CID 155106171

IUPAC3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccccc1-c1cc(-c2c(O)ccc(F)c2N)[nH]n1
InChIInChI=1S/C16H14FN3O/c1-9-4-2-3-5-10(9)12-8-13(20-19-12)15-14(21)7-6-11(17)16(15)18/h2-8,21H,18H2,1H3,(H,19,20)
InChIKeyLEXXVIIQPMZLNE-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.48
Rot. Bonds2

About 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol

3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol (PubChem CID 155106171) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol
PubChem CID155106171
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol
SMILESCc1ccccc1-c1cc(-c2c(O)ccc(F)c2N)[nH]n1
InChIInChI=1S/C16H14FN3O/c1-9-4-2-3-5-10(9)12-8-13(20-19-12)15-14(21)7-6-11(17)16(15)18/h2-8,21H,18H2,1H3,(H,19,20)
InChIKeyLEXXVIIQPMZLNE-UHFFFAOYSA-N
XLogP3.48
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol?
The IUPAC name of 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol (CID 155106171) is 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol is Cc1ccccc1-c1cc(-c2c(O)ccc(F)c2N)[nH]n1.
What is the InChIKey of 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol?
The InChIKey is LEXXVIIQPMZLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-9-4-2-3-5-10(9)12-8-13(20-19-12)15-14(21)7-6-11(17)16(15)18/h2-8,21H,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol?
3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol has a molecular weight of 283.31 g/mol, XLogP of 3.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-2-[3-(2-methylphenyl)-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 155106171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).