2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate

C16H17FN2O2 — CID 75418162

IUPAC2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate
SMILESO=C(OCCn1cccn1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C16H17FN2O2/c17-14-5-1-4-13(12-14)16(6-2-7-16)15(20)21-11-10-19-9-3-8-18-19/h1,3-5,8-9,12H,2,6-7,10-11H2
InChIKeyCYNZAWRWSFQUSA-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.69
Rot. Bonds5

About 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate

2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate (PubChem CID 75418162) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate
PubChem CID75418162
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate
SMILESO=C(OCCn1cccn1)C1(c2cccc(F)c2)CCC1
InChIInChI=1S/C16H17FN2O2/c17-14-5-1-4-13(12-14)16(6-2-7-16)15(20)21-11-10-19-9-3-8-18-19/h1,3-5,8-9,12H,2,6-7,10-11H2
InChIKeyCYNZAWRWSFQUSA-UHFFFAOYSA-N
XLogP2.69
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate?
The IUPAC name of 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate (CID 75418162) is 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate?
The canonical SMILES for 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate is O=C(OCCn1cccn1)C1(c2cccc(F)c2)CCC1.
What is the InChIKey of 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate?
The InChIKey is CYNZAWRWSFQUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-5-1-4-13(12-14)16(6-2-7-16)15(20)21-11-10-19-9-3-8-18-19/h1,3-5,8-9,12H,2,6-7,10-11H2.
What are the key properties of 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate?
2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 75418162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).