pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone

C10H5Cl3N2O — CID 122377366

IUPACpyrazol-1-yl-(2,4,6-trichlorophenyl)methanone
SMILESO=C(c1c(Cl)cc(Cl)cc1Cl)n1cccn1
InChIInChI=1S/C10H5Cl3N2O/c11-6-4-7(12)9(8(13)5-6)10(16)15-3-1-2-14-15/h1-5H
InChIKeyOHZZGSIBPTURDS-UHFFFAOYSA-N
MW275.52 g/mol
LogP3.53
Rot. Bonds1

About pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone

pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone (PubChem CID 122377366) has the molecular formula C10H5Cl3N2O and a molecular weight of 275.52 g/mol. Its IUPAC name is pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone.

Molecular Properties

Compound Namepyrazol-1-yl-(2,4,6-trichlorophenyl)methanone
PubChem CID122377366
Molecular FormulaC10H5Cl3N2O
Molecular Weight275.52 g/mol
Exact Mass273.95
IUPAC Namepyrazol-1-yl-(2,4,6-trichlorophenyl)methanone
SMILESO=C(c1c(Cl)cc(Cl)cc1Cl)n1cccn1
InChIInChI=1S/C10H5Cl3N2O/c11-6-4-7(12)9(8(13)5-6)10(16)15-3-1-2-14-15/h1-5H
InChIKeyOHZZGSIBPTURDS-UHFFFAOYSA-N
XLogP3.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.52
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone?
The IUPAC name of pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone (CID 122377366) is pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone.
What is the SMILES notation for pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone?
The canonical SMILES for pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone is O=C(c1c(Cl)cc(Cl)cc1Cl)n1cccn1.
What is the InChIKey of pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone?
The InChIKey is OHZZGSIBPTURDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3N2O/c11-6-4-7(12)9(8(13)5-6)10(16)15-3-1-2-14-15/h1-5H.
What are the key properties of pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone?
pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone has a molecular weight of 275.52 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazol-1-yl-(2,4,6-trichlorophenyl)methanone is sourced from PubChem (CID 122377366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).