2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine

C19H15N3 — CID 788729

IUPAC2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C19H15N3/c1-14-12-19-20-17(15-8-4-2-5-9-15)13-18(22(19)21-14)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyVANWETOHOWPBER-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.37
Rot. Bonds2

About 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine

2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine (PubChem CID 788729) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
PubChem CID788729
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C19H15N3/c1-14-12-19-20-17(15-8-4-2-5-9-15)13-18(22(19)21-14)16-10-6-3-7-11-16/h2-13H,1H3
InChIKeyVANWETOHOWPBER-UHFFFAOYSA-N
XLogP4.37
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine (CID 788729) is 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is VANWETOHOWPBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-14-12-19-20-17(15-8-4-2-5-9-15)13-18(22(19)21-14)16-10-6-3-7-11-16/h2-13H,1H3.
What are the key properties of 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine?
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 285.35 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 788729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).