2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

C15H12Cl2N2O2 — CID 5019322

IUPAC2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CCl)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C15H12Cl2N2O2/c16-9-15(20)19-13(14-2-1-7-21-14)8-12(18-19)10-3-5-11(17)6-4-10/h1-7,13H,8-9H2
InChIKeyUEBPPDDUWDPSDW-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.85
Rot. Bonds3

About 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone

2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 5019322) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID5019322
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CCl)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1
InChIInChI=1S/C15H12Cl2N2O2/c16-9-15(20)19-13(14-2-1-7-21-14)8-12(18-19)10-3-5-11(17)6-4-10/h1-7,13H,8-9H2
InChIKeyUEBPPDDUWDPSDW-UHFFFAOYSA-N
XLogP3.85
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 5019322) is 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is O=C(CCl)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1.
What is the InChIKey of 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is UEBPPDDUWDPSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-9-15(20)19-13(14-2-1-7-21-14)8-12(18-19)10-3-5-11(17)6-4-10/h1-7,13H,8-9H2.
What are the key properties of 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 323.18 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[5-(4-chlorophenyl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 5019322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).