methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate

C15H11ClFN3O2 — CID 44822327

IUPACmethyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2c(Cl)c(C)nn12
InChIInChI=1S/C15H11ClFN3O2/c1-8-13(16)14-18-11(9-3-5-10(17)6-4-9)7-12(15(21)22-2)20(14)19-8/h3-7H,1-2H3
InChIKeySYRJVKIIQRCZLT-UHFFFAOYSA-N
MW319.72 g/mol
LogP3.28
Rot. Bonds2

About methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 44822327) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID44822327
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Namemethyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(F)cc2)nc2c(Cl)c(C)nn12
InChIInChI=1S/C15H11ClFN3O2/c1-8-13(16)14-18-11(9-3-5-10(17)6-4-9)7-12(15(21)22-2)20(14)19-8/h3-7H,1-2H3
InChIKeySYRJVKIIQRCZLT-UHFFFAOYSA-N
XLogP3.28
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 44822327) is methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate is COC(=O)c1cc(-c2ccc(F)cc2)nc2c(Cl)c(C)nn12.
What is the InChIKey of methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is SYRJVKIIQRCZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c1-8-13(16)14-18-11(9-3-5-10(17)6-4-9)7-12(15(21)22-2)20(14)19-8/h3-7H,1-2H3.
What are the key properties of methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 319.72 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 44822327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).