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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Related Compounds

N,N-dimethyl-4-(7-oxo-3-phenyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)benzenesulfonamide
CID 171140413
2-ethyl-5-[3-(2-methylimidazol-1-yl)propyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98133033
2-methyl-5-phenyl-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 123610819
5-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973864
4-[3-(3,4-difluorophenyl)-2-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylbenzenesulfonamide
CID 171140784
2,3-diphenyl-5-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 171140796
5-(3-methoxyphenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17079174
2-methyl-3-phenyl-5-pyrazin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973660
acetic acid;2-methyl-3-[(2-methylphenyl)methyl]-5-pyridin-4-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 71270845
5-(3-fluorophenyl)-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 166606555
2-ethyl-6-(2-hydroxyethyl)-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 17168379
2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 58662275

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).