3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H14N4O2 — CID 46958599

IUPAC3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)[nH]n2c(=O)cc(-c3ccc[nH]c3=O)nc12
InChIInChI=1S/C14H14N4O2/c1-3-9-8(2)17-18-12(19)7-11(16-13(9)18)10-5-4-6-15-14(10)20/h4-7,17H,3H2,1-2H3,(H,15,20)
InChIKeyIMOOTFADZLXPNN-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.25
Rot. Bonds2

About 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46958599) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46958599
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)[nH]n2c(=O)cc(-c3ccc[nH]c3=O)nc12
InChIInChI=1S/C14H14N4O2/c1-3-9-8(2)17-18-12(19)7-11(16-13(9)18)10-5-4-6-15-14(10)20/h4-7,17H,3H2,1-2H3,(H,15,20)
InChIKeyIMOOTFADZLXPNN-UHFFFAOYSA-N
XLogP1.25
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-7-oxo-5-(6-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155549271
6-ethyl-N-(3-methoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4372031
N-cyclohexyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734509
8-Amino-11-prop-2-enyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-10-one
CID 56605538
8-Amino-4-ethenyl-11-prop-2-enyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-10-one
CID 56606344
N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)propanamide
CID 56607514
N-(10-oxo-4-pentyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)butanamide
CID 56608421
N-(10-oxo-4-pent-3-ynyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-8-yl)butanamide
CID 56608573
8-Amino-4-ethenyl-11-propyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-10-one
CID 56609774
8-Amino-4-pentyl-11-prop-2-enyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-10-one
CID 56609935
8-Amino-11-but-3-enyl-4-pentyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-10-one
CID 56610531
8-Amino-4-pentyl-2,4,5,11-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,6,8-tetraen-10-one
CID 56612388

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46958599) is 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)[nH]n2c(=O)cc(-c3ccc[nH]c3=O)nc12.
What is the InChIKey of 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IMOOTFADZLXPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-3-9-8(2)17-18-12(19)7-11(16-13(9)18)10-5-4-6-15-14(10)20/h4-7,17H,3H2,1-2H3,(H,15,20).
What are the key properties of 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 270.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-5-(2-oxo-1H-pyridin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46958599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).