6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H11FN4O — CID 70706183

IUPAC6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(CCOc3ccc(F)cc3)cnc12
InChIInChI=1S/C15H11FN4O/c16-13-1-3-14(4-2-13)21-6-5-11-8-18-15-12(7-17)9-19-20(15)10-11/h1-4,8-10H,5-6H2
InChIKeyCNTVIEQYBSKRII-UHFFFAOYSA-N
MW282.28 g/mol
LogP2.36
Rot. Bonds4

About 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 70706183) has the molecular formula C15H11FN4O and a molecular weight of 282.28 g/mol. Its IUPAC name is 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID70706183
Molecular FormulaC15H11FN4O
Molecular Weight282.28 g/mol
Exact Mass282.09
IUPAC Name6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2cc(CCOc3ccc(F)cc3)cnc12
InChIInChI=1S/C15H11FN4O/c16-13-1-3-14(4-2-13)21-6-5-11-8-18-15-12(7-17)9-19-20(15)10-11/h1-4,8-10H,5-6H2
InChIKeyCNTVIEQYBSKRII-UHFFFAOYSA-N
XLogP2.36
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 70706183) is 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2cc(CCOc3ccc(F)cc3)cnc12.
What is the InChIKey of 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is CNTVIEQYBSKRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN4O/c16-13-1-3-14(4-2-13)21-6-5-11-8-18-15-12(7-17)9-19-20(15)10-11/h1-4,8-10H,5-6H2.
What are the key properties of 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 282.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenoxy)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 70706183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).