5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine

C20H17N3 — CID 2900694

IUPAC5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc3nc(C)cc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C20H17N3/c1-14-8-10-16(11-9-14)18-13-20-21-15(2)12-19(23(20)22-18)17-6-4-3-5-7-17/h3-13H,1-2H3
InChIKeyGDBGHBXQRJUTRP-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.68
Rot. Bonds2

About 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine

5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 2900694) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID2900694
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2cc3nc(C)cc(-c4ccccc4)n3n2)cc1
InChIInChI=1S/C20H17N3/c1-14-8-10-16(11-9-14)18-13-20-21-15(2)12-19(23(20)22-18)17-6-4-3-5-7-17/h3-13H,1-2H3
InChIKeyGDBGHBXQRJUTRP-UHFFFAOYSA-N
XLogP4.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine (CID 2900694) is 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2cc3nc(C)cc(-c4ccccc4)n3n2)cc1.
What is the InChIKey of 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GDBGHBXQRJUTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-14-8-10-16(11-9-14)18-13-20-21-15(2)12-19(23(20)22-18)17-6-4-3-5-7-17/h3-13H,1-2H3.
What are the key properties of 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine?
5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 299.38 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 2900694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).