1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one

C20H17N5O — CID 54053165

IUPAC1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C=Cc3cccnc3)cc(=O)n2n1-c1cccc(N)c1
InChIInChI=1S/C20H17N5O/c1-14-10-19-23-17(8-7-15-4-3-9-22-13-15)12-20(26)25(19)24(14)18-6-2-5-16(21)11-18/h2-13H,21H2,1H3
InChIKeyLUJLSUUISWAUEY-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.94
Rot. Bonds3

About 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one

1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 54053165) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID54053165
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(C=Cc3cccnc3)cc(=O)n2n1-c1cccc(N)c1
InChIInChI=1S/C20H17N5O/c1-14-10-19-23-17(8-7-15-4-3-9-22-13-15)12-20(26)25(19)24(14)18-6-2-5-16(21)11-18/h2-13H,21H2,1H3
InChIKeyLUJLSUUISWAUEY-UHFFFAOYSA-N
XLogP2.94
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
CID 13232092
3-[(Z)-2-pyridin-3-ylethenyl]aniline
CID 101109294
2-(2-aminophenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 54271130
2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 54203423
2-propan-2-yl-4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrimidin-6-one
CID 135725522
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
2-(4-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188235
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13105911
3-methyl-5-[(Z)-2-pyridin-3-ylethenyl]pyridine
CID 143613503
3-(5-methylpyrazol-1-yl)aniline
CID 43154912
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one (CID 54053165) is 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(C=Cc3cccnc3)cc(=O)n2n1-c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is LUJLSUUISWAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-10-19-23-17(8-7-15-4-3-9-22-13-15)12-20(26)25(19)24(14)18-6-2-5-16(21)11-18/h2-13H,21H2,1H3.
What are the key properties of 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one?
1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 343.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 54053165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).