(2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone

C10H5ClF2N2O — CID 747176

IUPAC(2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1cc(F)c(F)cc1Cl)n1cccn1
InChIInChI=1S/C10H5ClF2N2O/c11-7-5-9(13)8(12)4-6(7)10(16)15-3-1-2-14-15/h1-5H
InChIKeyYRDUVLMCSBYOHB-UHFFFAOYSA-N
MW242.61 g/mol
LogP2.50
Rot. Bonds1

About (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone

(2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone (PubChem CID 747176) has the molecular formula C10H5ClF2N2O and a molecular weight of 242.61 g/mol. Its IUPAC name is (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone
PubChem CID747176
Molecular FormulaC10H5ClF2N2O
Molecular Weight242.61 g/mol
Exact Mass242.01
IUPAC Name(2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone
SMILESO=C(c1cc(F)c(F)cc1Cl)n1cccn1
InChIInChI=1S/C10H5ClF2N2O/c11-7-5-9(13)8(12)4-6(7)10(16)15-3-1-2-14-15/h1-5H
InChIKeyYRDUVLMCSBYOHB-UHFFFAOYSA-N
XLogP2.50
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.61
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone?
The IUPAC name of (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone (CID 747176) is (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone?
The canonical SMILES for (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone is O=C(c1cc(F)c(F)cc1Cl)n1cccn1.
What is the InChIKey of (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone?
The InChIKey is YRDUVLMCSBYOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF2N2O/c11-7-5-9(13)8(12)4-6(7)10(16)15-3-1-2-14-15/h1-5H.
What are the key properties of (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone?
(2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone has a molecular weight of 242.61 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-difluorophenyl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 747176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).