3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one

C9H8FN3O — CID 61263646

IUPAC3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one
SMILESNc1cc(=O)[nH]n1-c1ccccc1F
InChIInChI=1S/C9H8FN3O/c10-6-3-1-2-4-7(6)13-8(11)5-9(14)12-13/h1-5H,11H2,(H,12,14)
InChIKeyTYYKIZIVKRVVOC-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.89
Rot. Bonds1

About 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one

3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one (PubChem CID 61263646) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one
PubChem CID61263646
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one
SMILESNc1cc(=O)[nH]n1-c1ccccc1F
InChIInChI=1S/C9H8FN3O/c10-6-3-1-2-4-7(6)13-8(11)5-9(14)12-13/h1-5H,11H2,(H,12,14)
InChIKeyTYYKIZIVKRVVOC-UHFFFAOYSA-N
XLogP0.89
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one?
The IUPAC name of 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one (CID 61263646) is 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one.
What is the SMILES notation for 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one?
The canonical SMILES for 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one is Nc1cc(=O)[nH]n1-c1ccccc1F.
What is the InChIKey of 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one?
The InChIKey is TYYKIZIVKRVVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-6-3-1-2-4-7(6)13-8(11)5-9(14)12-13/h1-5H,11H2,(H,12,14).
What are the key properties of 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one?
3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one has a molecular weight of 193.18 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-fluorophenyl)-1H-pyrazol-5-one is sourced from PubChem (CID 61263646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).