ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate

C20H23N3O3 — CID 1090949

IUPACethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate
SMILESCCOC(=O)Cc1c(C)nc2c(-c3ccc(OC)cc3)c(C)nn2c1C
InChIInChI=1S/C20H23N3O3/c1-6-26-18(24)11-17-12(2)21-20-19(13(3)22-23(20)14(17)4)15-7-9-16(25-5)10-8-15/h7-10H,6,11H2,1-5H3
InChIKeyVXRKQNPWBLQCLC-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.44
Rot. Bonds5

About ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate

ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate (PubChem CID 1090949) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate
PubChem CID1090949
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate
SMILESCCOC(=O)Cc1c(C)nc2c(-c3ccc(OC)cc3)c(C)nn2c1C
InChIInChI=1S/C20H23N3O3/c1-6-26-18(24)11-17-12(2)21-20-19(13(3)22-23(20)14(17)4)15-7-9-16(25-5)10-8-15/h7-10H,6,11H2,1-5H3
InChIKeyVXRKQNPWBLQCLC-UHFFFAOYSA-N
XLogP3.44
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate?
The IUPAC name of ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate (CID 1090949) is ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate?
The canonical SMILES for ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate is CCOC(=O)Cc1c(C)nc2c(-c3ccc(OC)cc3)c(C)nn2c1C.
What is the InChIKey of ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate?
The InChIKey is VXRKQNPWBLQCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-6-26-18(24)11-17-12(2)21-20-19(13(3)22-23(20)14(17)4)15-7-9-16(25-5)10-8-15/h7-10H,6,11H2,1-5H3.
What are the key properties of ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate?
ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate has a molecular weight of 353.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methoxyphenyl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl]acetate is sourced from PubChem (CID 1090949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).