2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H12ClN5O — CID 92568407

IUPAC2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cn2cccn2)nc2cc(-c3cccc(Cl)c3)[nH]n12
InChIInChI=1S/C16H12ClN5O/c17-12-4-1-3-11(7-12)14-9-15-19-13(8-16(23)22(15)20-14)10-21-6-2-5-18-21/h1-9,20H,10H2
InChIKeyCCKNWHIBTVTWKI-UHFFFAOYSA-N
MW325.76 g/mol
LogP2.59
Rot. Bonds3

About 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92568407) has the molecular formula C16H12ClN5O and a molecular weight of 325.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92568407
Molecular FormulaC16H12ClN5O
Molecular Weight325.76 g/mol
Exact Mass325.07
IUPAC Name2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(Cn2cccn2)nc2cc(-c3cccc(Cl)c3)[nH]n12
InChIInChI=1S/C16H12ClN5O/c17-12-4-1-3-11(7-12)14-9-15-19-13(8-16(23)22(15)20-14)10-21-6-2-5-18-21/h1-9,20H,10H2
InChIKeyCCKNWHIBTVTWKI-UHFFFAOYSA-N
XLogP2.59
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92568407) is 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(Cn2cccn2)nc2cc(-c3cccc(Cl)c3)[nH]n12.
What is the InChIKey of 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CCKNWHIBTVTWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5O/c17-12-4-1-3-11(7-12)14-9-15-19-13(8-16(23)22(15)20-14)10-21-6-2-5-18-21/h1-9,20H,10H2.
What are the key properties of 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 325.76 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92568407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).