ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

C17H17N3O4 — CID 154730490

IUPACethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(COCc3ccccc3)[nH]n2c1=O
InChIInChI=1S/C17H17N3O4/c1-2-24-17(22)14-9-18-15-8-13(19-20(15)16(14)21)11-23-10-12-6-4-3-5-7-12/h3-9,19H,2,10-11H2,1H3
InChIKeyZUDSEOBLBAOZOW-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.92
Rot. Bonds6

About ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 154730490) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID154730490
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Nameethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2cc(COCc3ccccc3)[nH]n2c1=O
InChIInChI=1S/C17H17N3O4/c1-2-24-17(22)14-9-18-15-8-13(19-20(15)16(14)21)11-23-10-12-6-4-3-5-7-12/h3-9,19H,2,10-11H2,1H3
InChIKeyZUDSEOBLBAOZOW-UHFFFAOYSA-N
XLogP1.92
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(furan-2-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 784776
ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
CID 90326274
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403
ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216595
ethyl 6-bromo-4-phenylmethoxypyridine-3-carboxylate
CID 59477910
ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 172821533
ethyl 5-methyl-2-(phenylmethoxymethyl)pyrimidine-4-carboxylate
CID 165444834
4-ethoxycarbonyl-2,5-bis(phenylmethoxy)benzoic acid
CID 156760748
ethyl 2-(5-methyltetrazol-1-yl)-5-phenylmethoxybenzoate
CID 67051161
2-(4-ethoxycarbonyl-6-methyl-2-oxo-3-phenylmethoxy-1-pyridinyl)acetic acid
CID 122441506
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 154730490) is ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2cc(COCc3ccccc3)[nH]n2c1=O.
What is the InChIKey of ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is ZUDSEOBLBAOZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-2-24-17(22)14-9-18-15-8-13(19-20(15)16(14)21)11-23-10-12-6-4-3-5-7-12/h3-9,19H,2,10-11H2,1H3.
What are the key properties of ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 154730490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).