ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate

C17H17N3O4 — CID 1084421

IUPACethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)cc2n1
InChIInChI=1S/C17H17N3O4/c1-3-24-17(22)9-12-8-16(21)20-15(18-12)10-14(19-20)11-4-6-13(23-2)7-5-11/h4-8,10,19H,3,9H2,1-2H3
InChIKeyHGVLYFSWDZZYQY-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.80
Rot. Bonds5

About ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate

ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate (PubChem CID 1084421) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate
PubChem CID1084421
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Nameethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)cc2n1
InChIInChI=1S/C17H17N3O4/c1-3-24-17(22)9-12-8-16(21)20-15(18-12)10-14(19-20)11-4-6-13(23-2)7-5-11/h4-8,10,19H,3,9H2,1-2H3
InChIKeyHGVLYFSWDZZYQY-UHFFFAOYSA-N
XLogP1.80
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-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

Related Compounds

CID 971409
CID 971409
CID 2818874
CID 2818874
CID 3160182
CID 3160182
CID 879313
CID 879313
CID 15958200
CID 15958200
CID 15958217
CID 15958217
CID 15958219
CID 15958219
CID 57504040
CID 57504040
CID 666850
CID 666850
CID 807711
CID 807711
CID 1851458
CID 1851458
CID 16457434
CID 16457434

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate (CID 1084421) is ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate is CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)cc2n1.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate?
The InChIKey is HGVLYFSWDZZYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-24-17(22)9-12-8-16(21)20-15(18-12)10-14(19-20)11-4-6-13(23-2)7-5-11/h4-8,10,19H,3,9H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate?
ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate has a molecular weight of 327.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate is sourced from PubChem (CID 1084421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).