2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol

C15H12FN3O — CID 91498903

IUPAC2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol
SMILESNc1c(-c2ccccc2O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-10-5-7-11(8-6-10)19-15(17)13(9-18-19)12-3-1-2-4-14(12)20/h1-9,20H,17H2
InChIKeyOXLNZSMGYLLDOZ-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.97
Rot. Bonds2

About 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol

2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol (PubChem CID 91498903) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol.

Molecular Properties

Compound Name2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol
PubChem CID91498903
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol
SMILESNc1c(-c2ccccc2O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C15H12FN3O/c16-10-5-7-11(8-6-10)19-15(17)13(9-18-19)12-3-1-2-4-14(12)20/h1-9,20H,17H2
InChIKeyOXLNZSMGYLLDOZ-UHFFFAOYSA-N
XLogP2.97
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol?
The IUPAC name of 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol (CID 91498903) is 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol.
What is the SMILES notation for 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol?
The canonical SMILES for 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol is Nc1c(-c2ccccc2O)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol?
The InChIKey is OXLNZSMGYLLDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-10-5-7-11(8-6-10)19-15(17)13(9-18-19)12-3-1-2-4-14(12)20/h1-9,20H,17H2.
What are the key properties of 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol?
2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol has a molecular weight of 269.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]phenol is sourced from PubChem (CID 91498903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).