3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C9H10FN3 — CID 118410777

IUPAC3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccn2ncc(F)c2n1
InChIInChI=1S/C9H10FN3/c1-6(2)8-3-4-13-9(12-8)7(10)5-11-13/h3-6H,1-2H3
InChIKeyLSJVDUHEKSAWNE-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.99
Rot. Bonds1

About 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 118410777) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID118410777
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC Name3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC(C)c1ccn2ncc(F)c2n1
InChIInChI=1S/C9H10FN3/c1-6(2)8-3-4-13-9(12-8)7(10)5-11-13/h3-6H,1-2H3
InChIKeyLSJVDUHEKSAWNE-UHFFFAOYSA-N
XLogP1.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 118410777) is 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is CC(C)c1ccn2ncc(F)c2n1.
What is the InChIKey of 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LSJVDUHEKSAWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c1-6(2)8-3-4-13-9(12-8)7(10)5-11-13/h3-6H,1-2H3.
What are the key properties of 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 179.20 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118410777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).