4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile

C10H6FN3O — CID 67800622

IUPAC4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]n(-c2ccccc2)c(=O)c1F
InChIInChI=1S/C10H6FN3O/c11-9-8(6-12)13-14(10(9)15)7-4-2-1-3-5-7/h1-5,13H
InChIKeyXQLANXBIUZGEHH-UHFFFAOYSA-N
MW203.18 g/mol
LogP1.18
Rot. Bonds1

About 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile

4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile (PubChem CID 67800622) has the molecular formula C10H6FN3O and a molecular weight of 203.18 g/mol. Its IUPAC name is 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile
PubChem CID67800622
Molecular FormulaC10H6FN3O
Molecular Weight203.18 g/mol
Exact Mass203.05
IUPAC Name4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]n(-c2ccccc2)c(=O)c1F
InChIInChI=1S/C10H6FN3O/c11-9-8(6-12)13-14(10(9)15)7-4-2-1-3-5-7/h1-5,13H
InChIKeyXQLANXBIUZGEHH-UHFFFAOYSA-N
XLogP1.18
TPSA61.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile (CID 67800622) is 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile is N#Cc1[nH]n(-c2ccccc2)c(=O)c1F.
What is the InChIKey of 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile?
The InChIKey is XQLANXBIUZGEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3O/c11-9-8(6-12)13-14(10(9)15)7-4-2-1-3-5-7/h1-5,13H.
What are the key properties of 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile?
4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile has a molecular weight of 203.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-oxo-2-phenyl-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 67800622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).