ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C15H12BrN3O3 — CID 13216656

IUPACethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)cn(-c3ccccc3)n2c1=O
InChIInChI=1S/C15H12BrN3O3/c1-2-22-15(21)11-8-17-13-12(16)9-18(19(13)14(11)20)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyJLZHRKRHMGBRRX-UHFFFAOYSA-N
MW362.18 g/mol
LogP2.42
Rot. Bonds3

About ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 13216656) has the molecular formula C15H12BrN3O3 and a molecular weight of 362.18 g/mol. Its IUPAC name is ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID13216656
Molecular FormulaC15H12BrN3O3
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Nameethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(Br)cn(-c3ccccc3)n2c1=O
InChIInChI=1S/C15H12BrN3O3/c1-2-22-15(21)11-8-17-13-12(16)9-18(19(13)14(11)20)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyJLZHRKRHMGBRRX-UHFFFAOYSA-N
XLogP2.42
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 13216595
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 3-bromo-1-phenylpyrazole-4-carboxylate
CID 121014552
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 1-ethyl-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 172821533
ethyl 2-(bromomethyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 22397189
ethyl 7-methyl-4,6-dioxopyrimido[1,2-c]quinazoline-3-carboxylate
CID 13060569
ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 57387343
ethyl 9-(4-bromophenyl)-7-oxo-2,4,8,10,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,11,13,15-hexaene-6-carboxylate
CID 135547450
ethyl 6-ethyl-1,5-dioxopyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylate
CID 86737679
ethyl 4,5-dioxo-1-phenylpyrazole-3-carboxylate
CID 23446953
ethyl 2-oxo-1-phenyl-1,7-naphthyridine-3-carboxylate
CID 122512958

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 13216656) is ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(Br)cn(-c3ccccc3)n2c1=O.
What is the InChIKey of ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is JLZHRKRHMGBRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3/c1-2-22-15(21)11-8-17-13-12(16)9-18(19(13)14(11)20)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 362.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-7-oxo-1-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 13216656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).