2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate

C15H15FN2O2 — CID 86862371

IUPAC2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCCn1cccn1)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c16-12-4-2-11(3-5-12)13-10-14(13)15(19)20-9-8-18-7-1-6-17-18/h1-7,13-14H,8-10H2
InChIKeyORLIHXFYLSMNLL-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.37
Rot. Bonds5

About 2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate

2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 86862371) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID86862371
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCCn1cccn1)C1CC1c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2/c16-12-4-2-11(3-5-12)13-10-14(13)15(19)20-9-8-18-7-1-6-17-18/h1-7,13-14H,8-10H2
InChIKeyORLIHXFYLSMNLL-UHFFFAOYSA-N
XLogP2.37
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(1H-pyrazol-1-yl)propyl]-4-[2-(trifluoromethyl)benzyl]piperidine-4-carboxylate
CID 16189023
ethyl 4-(3-fluorobenzyl)-1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxylate
CID 16190799
Methyl 2-(4-fluoro-3-(1-methyl-1H-pyrazol-4-yl)phenyl)acetate
CID 59290381
Ethyl 2-(2,4-difluorophenyl)-2-pyrazol-1-ylacetate
CID 130277857
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 60232942
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-(2,3-difluorophenyl)propanoate
CID 60233251
Methyl 2-phenyl-3-[4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 64565409
2-Pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate
CID 71988212
2-Pyrazol-1-ylethyl 3-(2,5-difluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 72017962
2-Pyrazol-1-ylethyl 1-(3-fluorophenyl)cyclobutane-1-carboxylate
CID 75418162
2-Pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
CID 75418171
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-(3-fluorophenyl)cyclopropane-1-carboxylate
CID 75419708

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of 2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate (CID 86862371) is 2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for 2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate is O=C(OCCn1cccn1)C1CC1c1ccc(F)cc1.
What is the InChIKey of 2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is ORLIHXFYLSMNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-12-4-2-11(3-5-12)13-10-14(13)15(19)20-9-8-18-7-1-6-17-18/h1-7,13-14H,8-10H2.
What are the key properties of 2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate?
2-pyrazol-1-ylethyl 2-(4-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 274.29 g/mol, XLogP of 2.37, 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 2-(4-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 86862371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).