5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

C23H19N3O — CID 666158

IUPAC5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)N=C(c1ccco1)CC2c1ccccc1
InChIInChI=1S/C23H19N3O/c1-16-22(18-11-6-3-7-12-18)23-24-19(21-13-8-14-27-21)15-20(26(23)25-16)17-9-4-2-5-10-17/h2-14,20H,15H2,1H3
InChIKeyQNSRLWXHVYCDBF-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.57
Rot. Bonds3

About 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine

5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 666158) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID666158
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(c1-c1ccccc1)N=C(c1ccco1)CC2c1ccccc1
InChIInChI=1S/C23H19N3O/c1-16-22(18-11-6-3-7-12-18)23-24-19(21-13-8-14-27-21)15-20(26(23)25-16)17-9-4-2-5-10-17/h2-14,20H,15H2,1H3
InChIKeyQNSRLWXHVYCDBF-UHFFFAOYSA-N
XLogP5.57
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine (CID 666158) is 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is Cc1nn2c(c1-c1ccccc1)N=C(c1ccco1)CC2c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is QNSRLWXHVYCDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-22(18-11-6-3-7-12-18)23-24-19(21-13-8-14-27-21)15-20(26(23)25-16)17-9-4-2-5-10-17/h2-14,20H,15H2,1H3.
What are the key properties of 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine?
5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 353.43 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methyl-3,7-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 666158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).