5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine

C9H8FN3 — CID 142460379

IUPAC5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine
SMILESF/C=C/Cc1ccn2nccc2n1
InChIInChI=1S/C9H8FN3/c10-5-1-2-8-4-7-13-9(12-8)3-6-11-13/h1,3-7H,2H2/b5-1+
InChIKeyXHDOBBAOTGTNDW-ORCRQEGFSA-N
MW177.18 g/mol
LogP1.75
Rot. Bonds2

About 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine

5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 142460379) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine
PubChem CID142460379
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine
SMILESF/C=C/Cc1ccn2nccc2n1
InChIInChI=1S/C9H8FN3/c10-5-1-2-8-4-7-13-9(12-8)3-6-11-13/h1,3-7H,2H2/b5-1+
InChIKeyXHDOBBAOTGTNDW-ORCRQEGFSA-N
XLogP1.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine (CID 142460379) is 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine is F/C=C/Cc1ccn2nccc2n1.
What is the InChIKey of 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is XHDOBBAOTGTNDW-ORCRQEGFSA-N. The full InChI is InChI=1S/C9H8FN3/c10-5-1-2-8-4-7-13-9(12-8)3-6-11-13/h1,3-7H,2H2/b5-1+.
What are the key properties of 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine?
5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 177.18 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-fluoroprop-2-enyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142460379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).