1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone

C16H11ClN2O3 — CID 565311

IUPAC1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1ccco1
InChIInChI=1S/C16H11ClN2O3/c1-10(20)15-13(16(21)14-6-3-7-22-14)9-19(18-15)12-5-2-4-11(17)8-12/h2-9H,1H3
InChIKeyWFXTYIQCGYBXJL-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.55
Rot. Bonds4

About 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone

1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone (PubChem CID 565311) has the molecular formula C16H11ClN2O3 and a molecular weight of 314.73 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone
PubChem CID565311
Molecular FormulaC16H11ClN2O3
Molecular Weight314.73 g/mol
Exact Mass314.05
IUPAC Name1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1ccco1
InChIInChI=1S/C16H11ClN2O3/c1-10(20)15-13(16(21)14-6-3-7-22-14)9-19(18-15)12-5-2-4-11(17)8-12/h2-9H,1H3
InChIKeyWFXTYIQCGYBXJL-UHFFFAOYSA-N
XLogP3.55
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone (CID 565311) is 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone is CC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1ccco1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone?
The InChIKey is WFXTYIQCGYBXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O3/c1-10(20)15-13(16(21)14-6-3-7-22-14)9-19(18-15)12-5-2-4-11(17)8-12/h2-9H,1H3.
What are the key properties of 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone?
1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone has a molecular weight of 314.73 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-4-(furan-2-carbonyl)pyrazol-3-yl]ethanone is sourced from PubChem (CID 565311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).