ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

C16H14FN3O2 — CID 822828

IUPACethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H14FN3O2/c1-3-22-16(21)13-9-18-20-10(2)8-14(19-15(13)20)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3
InChIKeyVQILILFDCZMTIG-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.02
Rot. Bonds3

About ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 822828) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID822828
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Nameethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C)cc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C16H14FN3O2/c1-3-22-16(21)13-9-18-20-10(2)8-14(19-15(13)20)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3
InChIKeyVQILILFDCZMTIG-UHFFFAOYSA-N
XLogP3.02
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 822828) is ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C)cc(-c3ccc(F)cc3)nc12.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is VQILILFDCZMTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-3-22-16(21)13-9-18-20-10(2)8-14(19-15(13)20)11-4-6-12(17)7-5-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 299.31 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 822828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).