5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine

C18H14N4 — CID 57380816

IUPAC5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C18H14N4/c1-13-19-12-16-18(20-13)17(14-8-4-2-5-9-14)21-22(16)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyZJPVBOLYBWAROP-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.79
Rot. Bonds2

About 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine

5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine (PubChem CID 57380816) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine
PubChem CID57380816
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)c(-c1ccccc1)nn2-c1ccccc1
InChIInChI=1S/C18H14N4/c1-13-19-12-16-18(20-13)17(14-8-4-2-5-9-14)21-22(16)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyZJPVBOLYBWAROP-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine
CID 57381040
5-methyl-1,3,4-triphenylpyrazole
CID 1202580
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
2,5-dimethyl-4-phenylpyrimidine;ethane
CID 143883358
4-methyl-1,3-diphenylpyrazol-5-amine
CID 43336769
5-chloro-4-methyl-1,3-diphenylpyrazole
CID 104847504
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
6-methylsulfanyl-1,3-diphenylpyrazolo[3,4-d]pyrimidine
CID 171099009
5-methyl-3-phenyltriazolo[4,5-d]pyrimidine
CID 14006330
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
2-(2-methyl-5-phenylimidazo[5,1-f][1,2,4]triazin-7-yl)ethanamine
CID 82381864
6-methyl-1,4-diphenylpyrazolo[3,4-d]pyrimidin-3-amine
CID 110171361

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine?
The IUPAC name of 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine (CID 57380816) is 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine.
What is the SMILES notation for 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine?
The canonical SMILES for 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine is Cc1ncc2c(n1)c(-c1ccccc1)nn2-c1ccccc1.
What is the InChIKey of 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine?
The InChIKey is ZJPVBOLYBWAROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-19-12-16-18(20-13)17(14-8-4-2-5-9-14)21-22(16)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine?
5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine has a molecular weight of 286.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3-diphenylpyrazolo[4,3-d]pyrimidine is sourced from PubChem (CID 57380816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).