ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C15H13N3O3 — CID 13216595

IUPACethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccn(-c3ccccc3)n2c1=O
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)12-10-16-13-8-9-17(18(13)14(12)19)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyXGDYQPLAXCWHHU-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.66
Rot. Bonds3

About ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 13216595) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID13216595
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Nameethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2ccn(-c3ccccc3)n2c1=O
InChIInChI=1S/C15H13N3O3/c1-2-21-15(20)12-10-16-13-8-9-17(18(13)14(12)19)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyXGDYQPLAXCWHHU-UHFFFAOYSA-N
XLogP1.66
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216656
ethyl 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 172821533
ethyl 7-oxo-2-(phenylmethoxymethyl)-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 154730490
ethyl 10-oxo-5-phenyl-4,5,7,9,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate
CID 53483485
ethyl 7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 3932782
butyl 4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 113222289
ethyl 2-methyl-3-phenylimidazole-4-carboxylate
CID 134397442
ethyl 1-(2-methoxyphenyl)-6-oxo-2-phenylpyrimidine-5-carboxylate
CID 118006121
ethyl 5-oxo-2,6-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,7,9,11,13,15-heptaene-4-carboxylate
CID 165352312
ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13060569
ethyl 2-methyl-6-oxo-1-prop-2-enylpyrimidine-5-carboxylate
CID 18172499
ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-6-oxopyrimidine-5-carboxylate
CID 7748770

Frequently Asked Questions

What is the IUPAC name of ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 13216595) is ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2ccn(-c3ccccc3)n2c1=O.
What is the InChIKey of ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is XGDYQPLAXCWHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-2-21-15(20)12-10-16-13-8-9-17(18(13)14(12)19)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 13216595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).