2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol

C9H8FN3O — CID 117283399

IUPAC2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol
SMILESNc1[nH]ncc1-c1cc(F)ccc1O
InChIInChI=1S/C9H8FN3O/c10-5-1-2-8(14)6(3-5)7-4-12-13-9(7)11/h1-4,14H,(H3,11,12,13)
InChIKeyDILPHKDORJXJFB-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.50
Rot. Bonds1

About 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol

2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol (PubChem CID 117283399) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol
PubChem CID117283399
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol
SMILESNc1[nH]ncc1-c1cc(F)ccc1O
InChIInChI=1S/C9H8FN3O/c10-5-1-2-8(14)6(3-5)7-4-12-13-9(7)11/h1-4,14H,(H3,11,12,13)
InChIKeyDILPHKDORJXJFB-UHFFFAOYSA-N
XLogP1.50
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol (CID 117283399) is 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol is Nc1[nH]ncc1-c1cc(F)ccc1O.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol?
The InChIKey is DILPHKDORJXJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-5-1-2-8(14)6(3-5)7-4-12-13-9(7)11/h1-4,14H,(H3,11,12,13).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol?
2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol has a molecular weight of 193.18 g/mol, XLogP of 1.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-4-fluorophenol is sourced from PubChem (CID 117283399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).