3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H11N5O — CID 10660143

IUPAC3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccn[nH]2)cnc2c(-c3ccccc3)c[nH]n12
InChIInChI=1S/C15H11N5O/c21-15-12(13-6-7-17-19-13)8-16-14-11(9-18-20(14)15)10-4-2-1-3-5-10/h1-9,18H,(H,17,19)
InChIKeyAOGIQOPVCKQEOE-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.08
Rot. Bonds2

About 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10660143) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10660143
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccn[nH]2)cnc2c(-c3ccccc3)c[nH]n12
InChIInChI=1S/C15H11N5O/c21-15-12(13-6-7-17-19-13)8-16-14-11(9-18-20(14)15)10-4-2-1-3-5-10/h1-9,18H,(H,17,19)
InChIKeyAOGIQOPVCKQEOE-UHFFFAOYSA-N
XLogP2.08
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10660143) is 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccn[nH]2)cnc2c(-c3ccccc3)c[nH]n12.
What is the InChIKey of 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AOGIQOPVCKQEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c21-15-12(13-6-7-17-19-13)8-16-14-11(9-18-20(14)15)10-4-2-1-3-5-10/h1-9,18H,(H,17,19).
What are the key properties of 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 277.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10660143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).