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

C19H15N3 — CID 3955995

IUPAC7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2ccnc3cc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C19H15N3/c1-14-7-9-16(10-8-14)18-11-12-20-19-13-17(21-22(18)19)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyCXCWGCCZZLYAJQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.37
Rot. Bonds2

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

7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3955995) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID3955995
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2ccnc3cc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C19H15N3/c1-14-7-9-16(10-8-14)18-11-12-20-19-13-17(21-22(18)19)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyCXCWGCCZZLYAJQ-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 7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine (CID 3955995) is 7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine is Cc1ccc(-c2ccnc3cc(-c4ccccc4)nn23)cc1.
What is the InChIKey of 7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CXCWGCCZZLYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-14-7-9-16(10-8-14)18-11-12-20-19-13-17(21-22(18)19)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine?
7-(4-methylphenyl)-2-phenylpyrazolo[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 7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3955995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).