5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine

C15H10FN3O — CID 68606763

IUPAC5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
SMILESFc1cccc(C#CCOc2ccn3nccc3n2)c1
InChIInChI=1S/C15H10FN3O/c16-13-5-1-3-12(11-13)4-2-10-20-15-7-9-19-14(18-15)6-8-17-19/h1,3,5-9,11H,10H2
InChIKeyDRGQHLVZPQZNIG-UHFFFAOYSA-N
MW267.26 g/mol
LogP2.30
Rot. Bonds2

About 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine

5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine (PubChem CID 68606763) has the molecular formula C15H10FN3O and a molecular weight of 267.26 g/mol. Its IUPAC name is 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
PubChem CID68606763
Molecular FormulaC15H10FN3O
Molecular Weight267.26 g/mol
Exact Mass267.08
IUPAC Name5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine
SMILESFc1cccc(C#CCOc2ccn3nccc3n2)c1
InChIInChI=1S/C15H10FN3O/c16-13-5-1-3-12(11-13)4-2-10-20-15-7-9-19-14(18-15)6-8-17-19/h1,3,5-9,11H,10H2
InChIKeyDRGQHLVZPQZNIG-UHFFFAOYSA-N
XLogP2.30
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine (CID 68606763) is 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine is Fc1cccc(C#CCOc2ccn3nccc3n2)c1.
What is the InChIKey of 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
The InChIKey is DRGQHLVZPQZNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O/c16-13-5-1-3-12(11-13)4-2-10-20-15-7-9-19-14(18-15)6-8-17-19/h1,3,5-9,11H,10H2.
What are the key properties of 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine?
5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine has a molecular weight of 267.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluorophenyl)prop-2-ynoxy]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 68606763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).