5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine

C23H19N5 — CID 53330826

IUPAC5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccccc2)n2nc(-n3nc(C)cc3-c3ccccc3)cc2n1
InChIInChI=1S/C23H19N5/c1-16-13-20(18-9-5-3-6-10-18)27-22(24-16)15-23(26-27)28-21(14-17(2)25-28)19-11-7-4-8-12-19/h3-15H,1-2H3
InChIKeyOOQLEKIWIWEKJA-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.87
Rot. Bonds3

About 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine

5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine (PubChem CID 53330826) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine
PubChem CID53330826
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(-c2ccccc2)n2nc(-n3nc(C)cc3-c3ccccc3)cc2n1
InChIInChI=1S/C23H19N5/c1-16-13-20(18-9-5-3-6-10-18)27-22(24-16)15-23(26-27)28-21(14-17(2)25-28)19-11-7-4-8-12-19/h3-15H,1-2H3
InChIKeyOOQLEKIWIWEKJA-UHFFFAOYSA-N
XLogP4.87
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine (CID 53330826) is 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine is Cc1cc(-c2ccccc2)n2nc(-n3nc(C)cc3-c3ccccc3)cc2n1.
What is the InChIKey of 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine?
The InChIKey is OOQLEKIWIWEKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-16-13-20(18-9-5-3-6-10-18)27-22(24-16)15-23(26-27)28-21(14-17(2)25-28)19-11-7-4-8-12-19/h3-15H,1-2H3.
What are the key properties of 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine?
5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine has a molecular weight of 365.44 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methyl-5-phenylpyrazol-1-yl)-7-phenylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 53330826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).