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

C17H14ClFN2O — CID 141201114

IUPAC1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1NC(c2ccc(Cl)cc2)=CC1c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O/c1-11(22)21-17(13-4-8-15(19)9-5-13)10-16(20-21)12-2-6-14(18)7-3-12/h2-10,17,20H,1H3
InChIKeySYUBLYJJAORLSY-UHFFFAOYSA-N
MW316.76 g/mol
LogP3.93
Rot. Bonds2

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

1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone (PubChem CID 141201114) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone
PubChem CID141201114
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1NC(c2ccc(Cl)cc2)=CC1c1ccc(F)cc1
InChIInChI=1S/C17H14ClFN2O/c1-11(22)21-17(13-4-8-15(19)9-5-13)10-16(20-21)12-2-6-14(18)7-3-12/h2-10,17,20H,1H3
InChIKeySYUBLYJJAORLSY-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone (CID 141201114) is 1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone is CC(=O)N1NC(c2ccc(Cl)cc2)=CC1c1ccc(F)cc1.
What is the InChIKey of 1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone?
The InChIKey is SYUBLYJJAORLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c1-11(22)21-17(13-4-8-15(19)9-5-13)10-16(20-21)12-2-6-14(18)7-3-12/h2-10,17,20H,1H3.
What are the key properties of 1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone?
1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone has a molecular weight of 316.76 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chlorophenyl)-3-(4-fluorophenyl)-1,3-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 141201114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).