methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C20H14FN3O2 — CID 19916264

IUPACmethyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C20H14FN3O2/c1-26-20(25)18-11-17(14-7-9-15(21)10-8-14)23-19-16(12-22-24(18)19)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyZUOQIOXHLHLCHA-UHFFFAOYSA-N
MW347.35 g/mol
LogP3.99
Rot. Bonds3

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

methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916264) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916264
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Namemethyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2c(-c3ccccc3)cnn12
InChIInChI=1S/C20H14FN3O2/c1-26-20(25)18-11-17(14-7-9-15(21)10-8-14)23-19-16(12-22-24(18)19)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyZUOQIOXHLHLCHA-UHFFFAOYSA-N
XLogP3.99
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916264) is methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)nc2c(-c3ccccc3)cnn12.
What is the InChIKey of methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is ZUOQIOXHLHLCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-26-20(25)18-11-17(14-7-9-15(21)10-8-14)23-19-16(12-22-24(18)19)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 347.35 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-fluorophenyl)-3-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).