3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate

C16H16Cl2N2O2 — CID 86937828

IUPAC3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCCCn1cccn1)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O2/c17-14-5-1-4-11(15(14)18)12-10-13(12)16(21)22-9-3-8-20-7-2-6-19-20/h1-2,4-7,12-13H,3,8-10H2
InChIKeyRYIDXOJMYVDMMY-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.93
Rot. Bonds6

About 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate

3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate (PubChem CID 86937828) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
PubChem CID86937828
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate
SMILESO=C(OCCCn1cccn1)C1CC1c1cccc(Cl)c1Cl
InChIInChI=1S/C16H16Cl2N2O2/c17-14-5-1-4-11(15(14)18)12-10-13(12)16(21)22-9-3-8-20-7-2-6-19-20/h1-2,4-7,12-13H,3,8-10H2
InChIKeyRYIDXOJMYVDMMY-UHFFFAOYSA-N
XLogP3.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate?
The IUPAC name of 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate (CID 86937828) is 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate?
The canonical SMILES for 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate is O=C(OCCCn1cccn1)C1CC1c1cccc(Cl)c1Cl.
What is the InChIKey of 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate?
The InChIKey is RYIDXOJMYVDMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c17-14-5-1-4-11(15(14)18)12-10-13(12)16(21)22-9-3-8-20-7-2-6-19-20/h1-2,4-7,12-13H,3,8-10H2.
What are the key properties of 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate?
3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate has a molecular weight of 339.22 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazol-1-ylpropyl 2-(2,3-dichlorophenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 86937828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).