2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H16N4O — CID 92588424

IUPAC2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(-c3ccncc3)nc2c1-c1ccccc1
InChIInChI=1S/C19H16N4O/c1-2-15-18(14-6-4-3-5-7-14)19-21-16(12-17(24)23(19)22-15)13-8-10-20-11-9-13/h3-12,22H,2H2,1H3
InChIKeyMRLHVUAQTUWFHK-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.31
Rot. Bonds3

About 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 92588424) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID92588424
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1[nH]n2c(=O)cc(-c3ccncc3)nc2c1-c1ccccc1
InChIInChI=1S/C19H16N4O/c1-2-15-18(14-6-4-3-5-7-14)19-21-16(12-17(24)23(19)22-15)13-8-10-20-11-9-13/h3-12,22H,2H2,1H3
InChIKeyMRLHVUAQTUWFHK-UHFFFAOYSA-N
XLogP3.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 92588424) is 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1[nH]n2c(=O)cc(-c3ccncc3)nc2c1-c1ccccc1.
What is the InChIKey of 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is MRLHVUAQTUWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-15-18(14-6-4-3-5-7-14)19-21-16(12-17(24)23(19)22-15)13-8-10-20-11-9-13/h3-12,22H,2H2,1H3.
What are the key properties of 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 316.36 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-phenyl-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 92588424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).