(2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone

C11H8Cl2N2O2 — CID 15631674

IUPAC(2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c1-15-7(4-5-14-15)11(17)6-2-3-8(16)10(13)9(6)12/h2-5,16H,1H3
InChIKeyXFAMVLWZQJDNJC-UHFFFAOYSA-N
MW271.10 g/mol
LogP2.66
Rot. Bonds2

About (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone

(2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 15631674) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone
PubChem CID15631674
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name(2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)c1ccc(O)c(Cl)c1Cl
InChIInChI=1S/C11H8Cl2N2O2/c1-15-7(4-5-14-15)11(17)6-2-3-8(16)10(13)9(6)12/h2-5,16H,1H3
InChIKeyXFAMVLWZQJDNJC-UHFFFAOYSA-N
XLogP2.66
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone (CID 15631674) is (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)c1ccc(O)c(Cl)c1Cl.
What is the InChIKey of (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is XFAMVLWZQJDNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c1-15-7(4-5-14-15)11(17)6-2-3-8(16)10(13)9(6)12/h2-5,16H,1H3.
What are the key properties of (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone?
(2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 271.10 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-hydroxyphenyl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 15631674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).