5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine

C19H20N4 — CID 137107237

IUPAC5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nn(-c2ccccc2)c2c1CN(Cc1ccccc1)CN2
InChIInChI=1S/C19H20N4/c1-15-18-13-22(12-16-8-4-2-5-9-16)14-20-19(18)23(21-15)17-10-6-3-7-11-17/h2-11,20H,12-14H2,1H3
InChIKeyXXVYUWZCJKDIDE-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.57
Rot. Bonds3

About 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine

5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine (PubChem CID 137107237) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine
PubChem CID137107237
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine
SMILESCc1nn(-c2ccccc2)c2c1CN(Cc1ccccc1)CN2
InChIInChI=1S/C19H20N4/c1-15-18-13-22(12-16-8-4-2-5-9-16)14-20-19(18)23(21-15)17-10-6-3-7-11-17/h2-11,20H,12-14H2,1H3
InChIKeyXXVYUWZCJKDIDE-UHFFFAOYSA-N
XLogP3.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine (CID 137107237) is 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine is Cc1nn(-c2ccccc2)c2c1CN(Cc1ccccc1)CN2.
What is the InChIKey of 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is XXVYUWZCJKDIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-15-18-13-22(12-16-8-4-2-5-9-16)14-20-19(18)23(21-15)17-10-6-3-7-11-17/h2-11,20H,12-14H2,1H3.
What are the key properties of 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine?
5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 304.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 137107237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).