1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone

C11H10FN3O — CID 65360173

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone
SMILESNc1[nH]ncc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c12-8-3-1-7(2-4-8)5-10(16)9-6-14-15-11(9)13/h1-4,6H,5H2,(H3,13,14,15)
InChIKeySOLLEYYKBOGHMI-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.56
Rot. Bonds3

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

1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 65360173) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone
PubChem CID65360173
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone
SMILESNc1[nH]ncc1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C11H10FN3O/c12-8-3-1-7(2-4-8)5-10(16)9-6-14-15-11(9)13/h1-4,6H,5H2,(H3,13,14,15)
InChIKeySOLLEYYKBOGHMI-UHFFFAOYSA-N
XLogP1.56
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone (CID 65360173) is 1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone is Nc1[nH]ncc1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is SOLLEYYKBOGHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-8-3-1-7(2-4-8)5-10(16)9-6-14-15-11(9)13/h1-4,6H,5H2,(H3,13,14,15).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone?
1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 219.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 65360173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).