methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate

C9H8FN3O2 — CID 138634517

IUPACmethyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nn2ccc(C)nc2c1F
InChIInChI=1S/C9H8FN3O2/c1-5-3-4-13-8(11-5)6(10)7(12-13)9(14)15-2/h3-4H,1-2H3
InChIKeyFNRUXKDUAWFCNF-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.96
Rot. Bonds1

About methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate

methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 138634517) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID138634517
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Namemethyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nn2ccc(C)nc2c1F
InChIInChI=1S/C9H8FN3O2/c1-5-3-4-13-8(11-5)6(10)7(12-13)9(14)15-2/h3-4H,1-2H3
InChIKeyFNRUXKDUAWFCNF-UHFFFAOYSA-N
XLogP0.96
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 138634517) is methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1nn2ccc(C)nc2c1F.
What is the InChIKey of methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is FNRUXKDUAWFCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c1-5-3-4-13-8(11-5)6(10)7(12-13)9(14)15-2/h3-4H,1-2H3.
What are the key properties of methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 209.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 138634517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).