1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione

C19H19N3O2 — CID 102363800

IUPAC1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione
SMILESO=C1CC2CCN(c3ccccc3)C(=O)N2N1Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-18-13-17-11-12-20(16-9-5-2-6-10-16)19(24)22(17)21(18)14-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyMQGHGCDZKHIIAB-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.03
Rot. Bonds3

About 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione

1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione (PubChem CID 102363800) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione.

Molecular Properties

Compound Name1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione
PubChem CID102363800
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione
SMILESO=C1CC2CCN(c3ccccc3)C(=O)N2N1Cc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-18-13-17-11-12-20(16-9-5-2-6-10-16)19(24)22(17)21(18)14-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyMQGHGCDZKHIIAB-UHFFFAOYSA-N
XLogP3.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione?
The IUPAC name of 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione (CID 102363800) is 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione.
What is the SMILES notation for 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione?
The canonical SMILES for 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione is O=C1CC2CCN(c3ccccc3)C(=O)N2N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione?
The InChIKey is MQGHGCDZKHIIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-13-17-11-12-20(16-9-5-2-6-10-16)19(24)22(17)21(18)14-15-7-3-1-4-8-15/h1-10,17H,11-14H2.
What are the key properties of 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione?
1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione has a molecular weight of 321.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-phenyl-3,3a,4,5-tetrahydropyrazolo[1,5-c]pyrimidine-2,7-dione is sourced from PubChem (CID 102363800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).