2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol

C15H13FN4O — CID 64794264

IUPAC2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol
SMILESOc1ccc(NCc2cn[nH]c2-c2cccnc2)cc1F
InChIInChI=1S/C15H13FN4O/c16-13-6-12(3-4-14(13)21)18-8-11-9-19-20-15(11)10-2-1-5-17-7-10/h1-7,9,18,21H,8H2,(H,19,20)
InChIKeyHHIQIKNNQCXXRL-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.93
Rot. Bonds4

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

2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol (PubChem CID 64794264) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol
PubChem CID64794264
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol
SMILESOc1ccc(NCc2cn[nH]c2-c2cccnc2)cc1F
InChIInChI=1S/C15H13FN4O/c16-13-6-12(3-4-14(13)21)18-8-11-9-19-20-15(11)10-2-1-5-17-7-10/h1-7,9,18,21H,8H2,(H,19,20)
InChIKeyHHIQIKNNQCXXRL-UHFFFAOYSA-N
XLogP2.93
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol?
The IUPAC name of 2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol (CID 64794264) is 2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol.
What is the SMILES notation for 2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol?
The canonical SMILES for 2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol is Oc1ccc(NCc2cn[nH]c2-c2cccnc2)cc1F.
What is the InChIKey of 2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol?
The InChIKey is HHIQIKNNQCXXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c16-13-6-12(3-4-14(13)21)18-8-11-9-19-20-15(11)10-2-1-5-17-7-10/h1-7,9,18,21H,8H2,(H,19,20).
What are the key properties of 2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol?
2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol has a molecular weight of 284.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]phenol is sourced from PubChem (CID 64794264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).