(2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone

C16H11ClN2O — CID 122226294

IUPAC(2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1Cl)c1ccccc1-n1cccn1
InChIInChI=1S/C16H11ClN2O/c17-14-8-3-1-6-12(14)16(20)13-7-2-4-9-15(13)19-11-5-10-18-19/h1-11H
InChIKeyOTTWCMNFJJJFKH-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.76
Rot. Bonds3

About (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone

(2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 122226294) has the molecular formula C16H11ClN2O and a molecular weight of 282.73 g/mol. Its IUPAC name is (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone
PubChem CID122226294
Molecular FormulaC16H11ClN2O
Molecular Weight282.73 g/mol
Exact Mass282.06
IUPAC Name(2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccccc1Cl)c1ccccc1-n1cccn1
InChIInChI=1S/C16H11ClN2O/c17-14-8-3-1-6-12(14)16(20)13-7-2-4-9-15(13)19-11-5-10-18-19/h1-11H
InChIKeyOTTWCMNFJJJFKH-UHFFFAOYSA-N
XLogP3.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone (CID 122226294) is (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone is O=C(c1ccccc1Cl)c1ccccc1-n1cccn1.
What is the InChIKey of (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is OTTWCMNFJJJFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O/c17-14-8-3-1-6-12(14)16(20)13-7-2-4-9-15(13)19-11-5-10-18-19/h1-11H.
What are the key properties of (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone?
(2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 282.73 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 122226294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).