2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate

C15H14F2N2O2 — CID 71988212

IUPAC2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCCn1cccn1)C1CC1c1cccc(F)c1F
InChIInChI=1S/C15H14F2N2O2/c16-13-4-1-3-10(14(13)17)11-9-12(11)15(20)21-8-7-19-6-2-5-18-19/h1-6,11-12H,7-9H2
InChIKeyHURFFGFFNLYRDE-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.51
Rot. Bonds5

About 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate

2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate (PubChem CID 71988212) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate
PubChem CID71988212
Molecular FormulaC15H14F2N2O2
Molecular Weight292.28 g/mol
Exact Mass292.10
IUPAC Name2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCCn1cccn1)C1CC1c1cccc(F)c1F
InChIInChI=1S/C15H14F2N2O2/c16-13-4-1-3-10(14(13)17)11-9-12(11)15(20)21-8-7-19-6-2-5-18-19/h1-6,11-12H,7-9H2
InChIKeyHURFFGFFNLYRDE-UHFFFAOYSA-N
XLogP2.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate (CID 71988212) is 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate is O=C(OCCn1cccn1)C1CC1c1cccc(F)c1F.
What is the InChIKey of 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate?
The InChIKey is HURFFGFFNLYRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-13-4-1-3-10(14(13)17)11-9-12(11)15(20)21-8-7-19-6-2-5-18-19/h1-6,11-12H,7-9H2.
What are the key properties of 2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate?
2-pyrazol-1-ylethyl 2-(2,3-difluorophenyl)cyclopropane-1-carboxylate has a molecular weight of 292.28 g/mol, XLogP of 2.51, 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-(2,3-difluorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 71988212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).