5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

C18H14N4O2 — CID 11841202

IUPAC5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1[nH]n2c(=O)cc(-c3ccccc3)[nH]c2c1Cc1cccnc1
InChIInChI=1S/C18H14N4O2/c23-16-10-15(13-6-2-1-3-7-13)20-17-14(18(24)21-22(16)17)9-12-5-4-8-19-11-12/h1-8,10-11,20H,9H2,(H,21,24)
InChIKeyHXXDBVYXPFWBGS-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.97
Rot. Bonds3

About 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (PubChem CID 11841202) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
PubChem CID11841202
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESO=c1[nH]n2c(=O)cc(-c3ccccc3)[nH]c2c1Cc1cccnc1
InChIInChI=1S/C18H14N4O2/c23-16-10-15(13-6-2-1-3-7-13)20-17-14(18(24)21-22(16)17)9-12-5-4-8-19-11-12/h1-8,10-11,20H,9H2,(H,21,24)
InChIKeyHXXDBVYXPFWBGS-UHFFFAOYSA-N
XLogP1.97
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The IUPAC name of 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (CID 11841202) is 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.
What is the SMILES notation for 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The canonical SMILES for 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is O=c1[nH]n2c(=O)cc(-c3ccccc3)[nH]c2c1Cc1cccnc1.
What is the InChIKey of 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The InChIKey is HXXDBVYXPFWBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c23-16-10-15(13-6-2-1-3-7-13)20-17-14(18(24)21-22(16)17)9-12-5-4-8-19-11-12/h1-8,10-11,20H,9H2,(H,21,24).
What are the key properties of 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione has a molecular weight of 318.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(pyridin-3-ylmethyl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is sourced from PubChem (CID 11841202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).