7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

C20H15N5 — CID 3817354

IUPAC7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cnc3ccccc32)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C20H15N5/c1-14-11-19(24-13-21-17-9-5-6-10-18(17)24)25-20(23-14)16(12-22-25)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyZYXLKNRRNRAXPC-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.04
Rot. Bonds2

About 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine

7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 3817354) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID3817354
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-n2cnc3ccccc32)n2ncc(-c3ccccc3)c2n1
InChIInChI=1S/C20H15N5/c1-14-11-19(24-13-21-17-9-5-6-10-18(17)24)25-20(23-14)16(12-22-25)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyZYXLKNRRNRAXPC-UHFFFAOYSA-N
XLogP4.04
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine (CID 3817354) is 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(-n2cnc3ccccc32)n2ncc(-c3ccccc3)c2n1.
What is the InChIKey of 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is ZYXLKNRRNRAXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-14-11-19(24-13-21-17-9-5-6-10-18(17)24)25-20(23-14)16(12-22-25)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine?
7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 325.38 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3817354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).