2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine

C13H13F4N3 — CID 156563501

IUPAC2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine
SMILESC=CC(CC)(c1c(C)cnc2cc(F)nn12)C(F)(F)F
InChIInChI=1S/C13H13F4N3/c1-4-12(5-2,13(15,16)17)11-8(3)7-18-10-6-9(14)19-20(10)11/h4,6-7H,1,5H2,2-3H3
InChIKeyUJAKCZMYMNKZHA-UHFFFAOYSA-N
MW287.26 g/mol
LogP3.57
Rot. Bonds3

About 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine

2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 156563501) has the molecular formula C13H13F4N3 and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID156563501
Molecular FormulaC13H13F4N3
Molecular Weight287.26 g/mol
Exact Mass287.10
IUPAC Name2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine
SMILESC=CC(CC)(c1c(C)cnc2cc(F)nn12)C(F)(F)F
InChIInChI=1S/C13H13F4N3/c1-4-12(5-2,13(15,16)17)11-8(3)7-18-10-6-9(14)19-20(10)11/h4,6-7H,1,5H2,2-3H3
InChIKeyUJAKCZMYMNKZHA-UHFFFAOYSA-N
XLogP3.57
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine (CID 156563501) is 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine is C=CC(CC)(c1c(C)cnc2cc(F)nn12)C(F)(F)F.
What is the InChIKey of 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is UJAKCZMYMNKZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4N3/c1-4-12(5-2,13(15,16)17)11-8(3)7-18-10-6-9(14)19-20(10)11/h4,6-7H,1,5H2,2-3H3.
What are the key properties of 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine?
2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 287.26 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-7-[3-(trifluoromethyl)pent-1-en-3-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 156563501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).