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

C20H15N3O2 — CID 772558

IUPACmethyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C20H15N3O2/c1-25-20(24)17-13-19-21-16(14-8-4-2-5-9-14)12-18(23(19)22-17)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyMVBSJTBKFFPJBX-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.85
Rot. Bonds3

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

methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 772558) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID772558
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Namemethyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C20H15N3O2/c1-25-20(24)17-13-19-21-16(14-8-4-2-5-9-14)12-18(23(19)22-17)15-10-6-3-7-11-15/h2-13H,1H3
InChIKeyMVBSJTBKFFPJBX-UHFFFAOYSA-N
XLogP3.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 772558) is methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is MVBSJTBKFFPJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-25-20(24)17-13-19-21-16(14-8-4-2-5-9-14)12-18(23(19)22-17)15-10-6-3-7-11-15/h2-13H,1H3.
What are the key properties of methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 772558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).