5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H14FN5O — CID 46973873

IUPAC5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1cc(-c2cc(=O)n3[nH]c(-c4ccc(F)cc4)cc3n2)cn1
InChIInChI=1S/C17H14FN5O/c1-2-22-10-12(9-19-22)14-8-17(24)23-16(20-14)7-15(21-23)11-3-5-13(18)6-4-11/h3-10,21H,2H2,1H3
InChIKeyXYQPFDYYIGTUSO-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.71
Rot. Bonds3

About 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973873) has the molecular formula C17H14FN5O and a molecular weight of 323.33 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973873
Molecular FormulaC17H14FN5O
Molecular Weight323.33 g/mol
Exact Mass323.12
IUPAC Name5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCn1cc(-c2cc(=O)n3[nH]c(-c4ccc(F)cc4)cc3n2)cn1
InChIInChI=1S/C17H14FN5O/c1-2-22-10-12(9-19-22)14-8-17(24)23-16(20-14)7-15(21-23)11-3-5-13(18)6-4-11/h3-10,21H,2H2,1H3
InChIKeyXYQPFDYYIGTUSO-UHFFFAOYSA-N
XLogP2.71
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973873) is 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCn1cc(-c2cc(=O)n3[nH]c(-c4ccc(F)cc4)cc3n2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is XYQPFDYYIGTUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O/c1-2-22-10-12(9-19-22)14-8-17(24)23-16(20-14)7-15(21-23)11-3-5-13(18)6-4-11/h3-10,21H,2H2,1H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 323.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).