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

C19H13ClN4O — CID 13232082

IUPAC1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(/C=C/c2cccnc2)nc2ccn(-c3cccc(Cl)c3)n12
InChIInChI=1S/C19H13ClN4O/c20-15-4-1-5-17(11-15)23-10-8-18-22-16(12-19(25)24(18)23)7-6-14-3-2-9-21-13-14/h1-13H/b7-6+
InChIKeyUCTHKLJIWLUHFX-VOTSOKGWSA-N
MW348.79 g/mol
LogP3.70
Rot. Bonds3

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

1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 13232082) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID13232082
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(/C=C/c2cccnc2)nc2ccn(-c3cccc(Cl)c3)n12
InChIInChI=1S/C19H13ClN4O/c20-15-4-1-5-17(11-15)23-10-8-18-22-16(12-19(25)24(18)23)7-6-14-3-2-9-21-13-14/h1-13H/b7-6+
InChIKeyUCTHKLJIWLUHFX-VOTSOKGWSA-N
XLogP3.70
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Chlorobenzylidene)-2-phenyl-3-(pyridin-3-yl)-1,2-dihydro-1,2,4-triazin-6(5H)-one (IVb)
CID 126963297
4-Chloro-2-(3-chloro-4-fluorophenyl)-5-[(2E)-1-methyl-2-[(pyridin-4-YL)methylidene]hydrazin-1-YL]-2,3-dihydropyridazin-3-one
CID 9641904
4-Chloro-2-(3-chloro-4-fluorophenyl)-5-[methyl-(3-pyridinylmethylideneamino)amino]-3-pyridazinone
CID 9665176
1-acetyl-2-(2-chlorophenyl)-4-methyl-5-(pyridin-3-ylmethyl)-1H-pyrazolo[4,3-c]pyridine-3,6(2H,5H)-dione
CID 52948419
1-Methyl-3-phenyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 49830630
(5E)-5-[(4-chlorophenyl)methylidene]-2-methyl-3-(pyridin-4-ylmethyl)imidazol-4-one
CID 60150627
Coq7-IN-1
CID 155981996
3-(4-chlorophenyl)-2-methyl-5-(3-pyridin-3-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192843
2-tert-butyl-3-(4-chlorophenyl)-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192852
3-(4-chlorophenyl)-5-(4-pyridin-3-ylphenyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192913
2-tert-butyl-3-(4-chlorophenyl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 130192987
3H-Pyrazol-3-one, 1,2-dihydro-1,5-(4-chlorophenyl)-1-phenyl-2-(3-(4-(2-pyridinyl)-1-piperazinyl)propyl)-
CID 3070044

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one (CID 13232082) is 1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(/C=C/c2cccnc2)nc2ccn(-c3cccc(Cl)c3)n12.
What is the InChIKey of 1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UCTHKLJIWLUHFX-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H13ClN4O/c20-15-4-1-5-17(11-15)23-10-8-18-22-16(12-19(25)24(18)23)7-6-14-3-2-9-21-13-14/h1-13H/b7-6+.
What are the key properties of 1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one?
1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 348.79 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 13232082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).