(2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone

C10H6ClFN2O — CID 674636

IUPAC(2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1cc(F)ccc1Cl)n1cccn1
InChIInChI=1S/C10H6ClFN2O/c11-9-3-2-7(12)6-8(9)10(15)14-5-1-4-13-14/h1-6H
InChIKeyMXSDGUYIACTDJJ-UHFFFAOYSA-N
MW224.62 g/mol
LogP2.36
Rot. Bonds1

About (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone

(2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone (PubChem CID 674636) has the molecular formula C10H6ClFN2O and a molecular weight of 224.62 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone
PubChem CID674636
Molecular FormulaC10H6ClFN2O
Molecular Weight224.62 g/mol
Exact Mass224.02
IUPAC Name(2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1cc(F)ccc1Cl)n1cccn1
InChIInChI=1S/C10H6ClFN2O/c11-9-3-2-7(12)6-8(9)10(15)14-5-1-4-13-14/h1-6H
InChIKeyMXSDGUYIACTDJJ-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 (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone (CID 674636) is (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone is O=C(c1cc(F)ccc1Cl)n1cccn1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone?
The InChIKey is MXSDGUYIACTDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN2O/c11-9-3-2-7(12)6-8(9)10(15)14-5-1-4-13-14/h1-6H.
What are the key properties of (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone?
(2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone 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 (2-chloro-5-fluorophenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 674636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).