5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine

C11H14FN3 — CID 122594834

IUPAC5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(C)(C)C)c(F)cn2n1
InChIInChI=1S/C11H14FN3/c1-7-5-9-13-10(11(2,3)4)8(12)6-15(9)14-7/h5-6H,1-4H3
InChIKeyFOOTZWDYOSSHFG-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.47
Rot. Bonds

About 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine

5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 122594834) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine
PubChem CID122594834
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc2nc(C(C)(C)C)c(F)cn2n1
InChIInChI=1S/C11H14FN3/c1-7-5-9-13-10(11(2,3)4)8(12)6-15(9)14-7/h5-6H,1-4H3
InChIKeyFOOTZWDYOSSHFG-UHFFFAOYSA-N
XLogP2.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine (CID 122594834) is 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine is Cc1cc2nc(C(C)(C)C)c(F)cn2n1.
What is the InChIKey of 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FOOTZWDYOSSHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-7-5-9-13-10(11(2,3)4)8(12)6-15(9)14-7/h5-6H,1-4H3.
What are the key properties of 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine?
5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 207.25 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-fluoro-2-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122594834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).