ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate

C23H21N3O2 — CID 66963820

IUPACethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1ccnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C23H21N3O2/c1-2-28-23(27)19(15-17-9-5-3-6-10-17)21-13-14-24-22-20(16-25-26(21)22)18-11-7-4-8-12-18/h3-14,16,19H,2,15H2,1H3
InChIKeyHSLNUZQMGVVRRE-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.29
Rot. Bonds6

About ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate

ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate (PubChem CID 66963820) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate
PubChem CID66963820
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Nameethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate
SMILESCCOC(=O)C(Cc1ccccc1)c1ccnc2c(-c3ccccc3)cnn12
InChIInChI=1S/C23H21N3O2/c1-2-28-23(27)19(15-17-9-5-3-6-10-17)21-13-14-24-22-20(16-25-26(21)22)18-11-7-4-8-12-18/h3-14,16,19H,2,15H2,1H3
InChIKeyHSLNUZQMGVVRRE-UHFFFAOYSA-N
XLogP4.29
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate?
The IUPAC name of ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate (CID 66963820) is ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate.
What is the SMILES notation for ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate?
The canonical SMILES for ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate is CCOC(=O)C(Cc1ccccc1)c1ccnc2c(-c3ccccc3)cnn12.
What is the InChIKey of ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate?
The InChIKey is HSLNUZQMGVVRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-28-23(27)19(15-17-9-5-3-6-10-17)21-13-14-24-22-20(16-25-26(21)22)18-11-7-4-8-12-18/h3-14,16,19H,2,15H2,1H3.
What are the key properties of ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate?
ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate has a molecular weight of 371.44 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-2-(3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)propanoate is sourced from PubChem (CID 66963820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).