(4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone

C10H6ClFN2O — CID 674652

IUPAC(4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)n1cc(Cl)cn1
InChIInChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
InChIKeyFTDJTWUEACFTRX-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.36
Rot. Bonds1

About (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone

(4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone (PubChem CID 674652) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone
PubChem CID674652
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name(4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)n1cc(Cl)cn1
InChIInChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H
InChIKeyFTDJTWUEACFTRX-UHFFFAOYSA-N
XLogP2.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.62
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone (CID 674652) is (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)n1cc(Cl)cn1.
What is the InChIKey of (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone?
The InChIKey is FTDJTWUEACFTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-8-5-13-14(6-8)10(15)7-1-3-9(12)4-2-7/h1-6H.
What are the key properties of (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone?
(4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone has a molecular weight of 224.62 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropyrazol-1-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 674652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).