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

C15H12Cl2N2O2 — CID 119053141

IUPAC2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CCl)N1N=C(c2ccco2)CC1c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c16-9-15(20)19-13(10-3-1-4-11(17)7-10)8-12(18-19)14-5-2-6-21-14/h1-7,13H,8-9H2
InChIKeyVHTNWEXNIGGOLK-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.85
Rot. Bonds3

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

2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 119053141) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID119053141
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESO=C(CCl)N1N=C(c2ccco2)CC1c1cccc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c16-9-15(20)19-13(10-3-1-4-11(17)7-10)8-12(18-19)14-5-2-6-21-14/h1-7,13H,8-9H2
InChIKeyVHTNWEXNIGGOLK-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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Related Compounds

5-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 119038830
1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 86820159
2-chloro-1-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 4961662
(3S)-3-(3-chlorophenyl)-5-(furan-2-yl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 95975634
1-[3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-3-methylbutan-1-one
CID 86807245
N-[3-[(3R)-5-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 99798504
3-(diethylamino)-1-[(3R)-5-(furan-2-yl)-3-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 99798482
1-[(3R)-3-(3-bromophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 97092958
5-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 119040927
1-[(3R)-3-(2,4-dichlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone
CID 949988
N-[3-[2-acetyl-5-(furan-2-yl)-3,4-dihydropyrazol-3-yl]phenyl]acetamide
CID 75510806
(2-chlorophenyl)-[5-(furan-2-yl)-3-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 72716842

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone (CID 119053141) is 2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is O=C(CCl)N1N=C(c2ccco2)CC1c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is VHTNWEXNIGGOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-9-15(20)19-13(10-3-1-4-11(17)7-10)8-12(18-19)14-5-2-6-21-14/h1-7,13H,8-9H2.
What are the key properties of 2-chloro-1-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone?
2-chloro-1-[3-(3-chlorophenyl)-5-(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-[3-(3-chlorophenyl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 119053141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).