methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

C14H9BrFN3O2 — CID 19916146

IUPACmethyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2F)nc2c(Br)cnn12
InChIInChI=1S/C14H9BrFN3O2/c1-21-14(20)12-6-11(8-4-2-3-5-10(8)16)18-13-9(15)7-17-19(12)13/h2-7H,1H3
InChIKeyIMTHWUNTNMWOFV-UHFFFAOYSA-N
MW350.15 g/mol
LogP3.08
Rot. Bonds2

About methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 19916146) has the molecular formula C14H9BrFN3O2 and a molecular weight of 350.15 g/mol. Its IUPAC name is methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID19916146
Molecular FormulaC14H9BrFN3O2
Molecular Weight350.15 g/mol
Exact Mass348.99
IUPAC Namemethyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2F)nc2c(Br)cnn12
InChIInChI=1S/C14H9BrFN3O2/c1-21-14(20)12-6-11(8-4-2-3-5-10(8)16)18-13-9(15)7-17-19(12)13/h2-7H,1H3
InChIKeyIMTHWUNTNMWOFV-UHFFFAOYSA-N
XLogP3.08
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.15
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 19916146) is methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2ccccc2F)nc2c(Br)cnn12.
What is the InChIKey of methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is IMTHWUNTNMWOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O2/c1-21-14(20)12-6-11(8-4-2-3-5-10(8)16)18-13-9(15)7-17-19(12)13/h2-7H,1H3.
What are the key properties of methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 350.15 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 19916146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).