ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

C19H21N3O2 — CID 686632

IUPACethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C
InChIInChI=1S/C19H21N3O2/c1-5-24-17(23)11-16-12(2)20-19-18(15-9-7-6-8-10-15)13(3)21-22(19)14(16)4/h6-10H,5,11H2,1-4H3
InChIKeyUZVXLARVEUPDER-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.43
Rot. Bonds4

About ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate

ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 686632) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID686632
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Nameethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C
InChIInChI=1S/C19H21N3O2/c1-5-24-17(23)11-16-12(2)20-19-18(15-9-7-6-8-10-15)13(3)21-22(19)14(16)4/h6-10H,5,11H2,1-4H3
InChIKeyUZVXLARVEUPDER-UHFFFAOYSA-N
XLogP3.43
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate 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 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 686632) is ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C.
What is the InChIKey of ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is UZVXLARVEUPDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-5-24-17(23)11-16-12(2)20-19-18(15-9-7-6-8-10-15)13(3)21-22(19)14(16)4/h6-10H,5,11H2,1-4H3.
What are the key properties of ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate?
ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 323.40 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 686632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).