2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C18H14N4O — CID 123610819

IUPAC2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccccn1
InChIInChI=1S/C18H14N4O/c1-12-17(14-9-5-6-10-19-14)18-20-15(11-16(23)22(18)21-12)13-7-3-2-4-8-13/h2-11,21H,1H3
InChIKeyKGCHIUMSSLGDPQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.06
Rot. Bonds2

About 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 123610819) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID123610819
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccccn1
InChIInChI=1S/C18H14N4O/c1-12-17(14-9-5-6-10-19-14)18-20-15(11-16(23)22(18)21-12)13-7-3-2-4-8-13/h2-11,21H,1H3
InChIKeyKGCHIUMSSLGDPQ-UHFFFAOYSA-N
XLogP3.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 123610819) is 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1-c1ccccn1.
What is the InChIKey of 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KGCHIUMSSLGDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12-17(14-9-5-6-10-19-14)18-20-15(11-16(23)22(18)21-12)13-7-3-2-4-8-13/h2-11,21H,1H3.
What are the key properties of 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 302.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 123610819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).