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

C15H15FN2O2 — CID 75418171

IUPAC2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCCn1cccn1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN2O2/c16-13-4-2-12(3-5-13)15(6-7-15)14(19)20-11-10-18-9-1-8-17-18/h1-5,8-9H,6-7,10-11H2
InChIKeyQHBAGJLLKXUKHO-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.30
Rot. Bonds5

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

2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate (PubChem CID 75418171) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
PubChem CID75418171
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCCn1cccn1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H15FN2O2/c16-13-4-2-12(3-5-13)15(6-7-15)14(19)20-11-10-18-9-1-8-17-18/h1-5,8-9H,6-7,10-11H2
InChIKeyQHBAGJLLKXUKHO-UHFFFAOYSA-N
XLogP2.30
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.30
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-(4-fluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of 2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate (CID 75418171) is 2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for 2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate is O=C(OCCn1cccn1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is QHBAGJLLKXUKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-13-4-2-12(3-5-13)15(6-7-15)14(19)20-11-10-18-9-1-8-17-18/h1-5,8-9H,6-7,10-11H2.
What are the key properties of 2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate?
2-pyrazol-1-ylethyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 274.30 g/mol, XLogP of 2.30, 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-(4-fluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 75418171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).