3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine

C17H15ClN2O — CID 133204360

IUPAC3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine
SMILESClc1cccc(C2CC(c3cc4ccccc4o3)NN2)c1
InChIInChI=1S/C17H15ClN2O/c18-13-6-3-5-11(8-13)14-10-15(20-19-14)17-9-12-4-1-2-7-16(12)21-17/h1-9,14-15,19-20H,10H2
InChIKeySYJWKANEPVPKNH-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.37
Rot. Bonds2

About 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine

3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine (PubChem CID 133204360) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine
PubChem CID133204360
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine
SMILESClc1cccc(C2CC(c3cc4ccccc4o3)NN2)c1
InChIInChI=1S/C17H15ClN2O/c18-13-6-3-5-11(8-13)14-10-15(20-19-14)17-9-12-4-1-2-7-16(12)21-17/h1-9,14-15,19-20H,10H2
InChIKeySYJWKANEPVPKNH-UHFFFAOYSA-N
XLogP4.37
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine?
The IUPAC name of 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine (CID 133204360) is 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine is Clc1cccc(C2CC(c3cc4ccccc4o3)NN2)c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine?
The InChIKey is SYJWKANEPVPKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-13-6-3-5-11(8-13)14-10-15(20-19-14)17-9-12-4-1-2-7-16(12)21-17/h1-9,14-15,19-20H,10H2.
What are the key properties of 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine?
3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine has a molecular weight of 298.77 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-5-(3-chlorophenyl)pyrazolidine is sourced from PubChem (CID 133204360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).