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

C15H10ClN5O — CID 10425609

IUPAC3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccn[nH]2)cnc2c(-c3cccc(Cl)c3)c[nH]n12
InChIInChI=1S/C15H10ClN5O/c16-10-3-1-2-9(6-10)11-8-19-21-14(11)17-7-12(15(21)22)13-4-5-18-20-13/h1-8,19H,(H,18,20)
InChIKeyASRXEBQLRGFIPJ-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.73
Rot. Bonds2

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

3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10425609) has the molecular formula C15H10ClN5O and a molecular weight of 311.73 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10425609
Molecular FormulaC15H10ClN5O
Molecular Weight311.73 g/mol
Exact Mass311.06
IUPAC Name3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccn[nH]2)cnc2c(-c3cccc(Cl)c3)c[nH]n12
InChIInChI=1S/C15H10ClN5O/c16-10-3-1-2-9(6-10)11-8-19-21-14(11)17-7-12(15(21)22)13-4-5-18-20-13/h1-8,19H,(H,18,20)
InChIKeyASRXEBQLRGFIPJ-UHFFFAOYSA-N
XLogP2.73
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10425609) is 3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccn[nH]2)cnc2c(-c3cccc(Cl)c3)c[nH]n12.
What is the InChIKey of 3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ASRXEBQLRGFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O/c16-10-3-1-2-9(6-10)11-8-19-21-14(11)17-7-12(15(21)22)13-4-5-18-20-13/h1-8,19H,(H,18,20).
What are the key properties of 3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 311.73 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-6-(1H-pyrazol-5-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10425609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).