2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate

C16H15FN4O2 — CID 166196725

IUPAC2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate
SMILESCc1nccn1CCOC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C16H15FN4O2/c1-12-18-7-9-20(12)10-11-23-16(22)14-6-8-21(19-14)15-5-3-2-4-13(15)17/h2-9H,10-11H2,1H3
InChIKeyFGFOQFDWAWGHNG-UHFFFAOYSA-N
MW314.32 g/mol
LogP2.37
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate

2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate (PubChem CID 166196725) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate
PubChem CID166196725
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate
SMILESCc1nccn1CCOC(=O)c1ccn(-c2ccccc2F)n1
InChIInChI=1S/C16H15FN4O2/c1-12-18-7-9-20(12)10-11-23-16(22)14-6-8-21(19-14)15-5-3-2-4-13(15)17/h2-9H,10-11H2,1H3
InChIKeyFGFOQFDWAWGHNG-UHFFFAOYSA-N
XLogP2.37
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate?
The IUPAC name of 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate (CID 166196725) is 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate?
The canonical SMILES for 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate is Cc1nccn1CCOC(=O)c1ccn(-c2ccccc2F)n1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate?
The InChIKey is FGFOQFDWAWGHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-12-18-7-9-20(12)10-11-23-16(22)14-6-8-21(19-14)15-5-3-2-4-13(15)17/h2-9H,10-11H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate?
2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate has a molecular weight of 314.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)ethyl 1-(2-fluorophenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 166196725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).