[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone

C15H9Cl2N3O2 — CID 17468098

IUPAC[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccccc1O
InChIInChI=1S/C15H9Cl2N3O2/c16-10-5-12(17)15(18-7-10)20-8-9(6-19-20)14(22)11-3-1-2-4-13(11)21/h1-8,21H
InChIKeyTZCLYHDKAULCBY-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.51
Rot. Bonds3

About [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone

[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (PubChem CID 17468098) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
PubChem CID17468098
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccccc1O
InChIInChI=1S/C15H9Cl2N3O2/c16-10-5-12(17)15(18-7-10)20-8-9(6-19-20)14(22)11-3-1-2-4-13(11)21/h1-8,21H
InChIKeyTZCLYHDKAULCBY-UHFFFAOYSA-N
XLogP3.51
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone (CID 17468098) is [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone is O=C(c1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccccc1O.
What is the InChIKey of [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is TZCLYHDKAULCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-10-5-12(17)15(18-7-10)20-8-9(6-19-20)14(22)11-3-1-2-4-13(11)21/h1-8,21H.
What are the key properties of [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone?
[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 334.16 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 17468098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).