ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C22H19N3O2 — CID 3751685

IUPACethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1C
InChIInChI=1S/C22H19N3O2/c1-3-27-22(26)18-14-23-21-19(16-10-6-4-7-11-16)20(24-25(21)15(18)2)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3
InChIKeyUATAZGKSCOZTJO-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.55
Rot. Bonds4

About ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 3751685) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID3751685
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Nameethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1C
InChIInChI=1S/C22H19N3O2/c1-3-27-22(26)18-14-23-21-19(16-10-6-4-7-11-16)20(24-25(21)15(18)2)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3
InChIKeyUATAZGKSCOZTJO-UHFFFAOYSA-N
XLogP4.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 3751685) is ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1C.
What is the InChIKey of ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is UATAZGKSCOZTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-3-27-22(26)18-14-23-21-19(16-10-6-4-7-11-16)20(24-25(21)15(18)2)17-12-8-5-9-13-17/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-2,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 3751685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).