4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine

C19H16N4O — CID 8539532

IUPAC4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3c2cnn3-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H16N4O/c1-13-3-7-15(8-4-13)23-18-17(11-22-23)19(21-12-20-18)24-16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyHNPLXWWJCHSQAV-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.22
Rot. Bonds3

About 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine

4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine (PubChem CID 8539532) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
PubChem CID8539532
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Oc2ncnc3c2cnn3-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H16N4O/c1-13-3-7-15(8-4-13)23-18-17(11-22-23)19(21-12-20-18)24-16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChIKeyHNPLXWWJCHSQAV-UHFFFAOYSA-N
XLogP4.22
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539514
1-phenyl-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8539191
4-methyl-7-[1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxychromen-2-one
CID 8539687
4-(3,4-dimethylphenoxy)-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidine
CID 8540129
4-(4-nitrophenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 167971445
1-(2,4-dimethylphenyl)-4-(4-propan-2-ylphenoxy)pyrazolo[5,4-d]pyrimidine
CID 8540480
4-chloro-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 11207298
1-(4-chlorophenyl)-4-(3-methyl-4-nitrophenoxy)pyrazolo[5,4-d]pyrimidine
CID 7205668
4-(2-methoxy-4-methylphenoxy)-1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidine
CID 8539459
[1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 46299479
6-[1-(3-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-1,3-benzoxathiol-2-one
CID 8539502
1-tert-butyl-4-[4-(1,2,4-triazol-1-yl)phenoxy]pyrazolo[5,4-d]pyrimidine
CID 75470436

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine (CID 8539532) is 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine is Cc1ccc(Oc2ncnc3c2cnn3-c2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is HNPLXWWJCHSQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-13-3-7-15(8-4-13)23-18-17(11-22-23)19(21-12-20-18)24-16-9-5-14(2)6-10-16/h3-12H,1-2H3.
What are the key properties of 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine?
4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 316.36 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 8539532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).