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

C10H12FN3 — CID 146435520

IUPAC6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cnc2cc(F)nn2c1
InChIInChI=1S/C10H12FN3/c1-10(2,3)7-5-12-9-4-8(11)13-14(9)6-7/h4-6H,1-3H3
InChIKeyXJQUFHRXGNXZJD-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.17
Rot. Bonds

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

6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine (PubChem CID 146435520) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine
PubChem CID146435520
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine
SMILESCC(C)(C)c1cnc2cc(F)nn2c1
InChIInChI=1S/C10H12FN3/c1-10(2,3)7-5-12-9-4-8(11)13-14(9)6-7/h4-6H,1-3H3
InChIKeyXJQUFHRXGNXZJD-UHFFFAOYSA-N
XLogP2.17
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine (CID 146435520) is 6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine is CC(C)(C)c1cnc2cc(F)nn2c1.
What is the InChIKey of 6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine?
The InChIKey is XJQUFHRXGNXZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c1-10(2,3)7-5-12-9-4-8(11)13-14(9)6-7/h4-6H,1-3H3.
What are the key properties of 6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine?
6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine has a molecular weight of 193.22 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-fluoropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146435520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).