2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide

C11H9Cl2N3O — CID 143746118

IUPAC2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide
SMILESCc1ccc(Cl)c(C(=O)Nn2cccn2)c1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-7-3-4-8(12)9(10(7)13)11(17)15-16-6-2-5-14-16/h2-6H,1H3,(H,15,17)
InChIKeyIWYLINYMYVDKKL-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.88
Rot. Bonds2

About 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide

2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide (PubChem CID 143746118) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide.

Molecular Properties

Compound Name2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide
PubChem CID143746118
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide
SMILESCc1ccc(Cl)c(C(=O)Nn2cccn2)c1Cl
InChIInChI=1S/C11H9Cl2N3O/c1-7-3-4-8(12)9(10(7)13)11(17)15-16-6-2-5-14-16/h2-6H,1H3,(H,15,17)
InChIKeyIWYLINYMYVDKKL-UHFFFAOYSA-N
XLogP2.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide?
The IUPAC name of 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide (CID 143746118) is 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide.
What is the SMILES notation for 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide?
The canonical SMILES for 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide is Cc1ccc(Cl)c(C(=O)Nn2cccn2)c1Cl.
What is the InChIKey of 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide?
The InChIKey is IWYLINYMYVDKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-7-3-4-8(12)9(10(7)13)11(17)15-16-6-2-5-14-16/h2-6H,1H3,(H,15,17).
What are the key properties of 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide?
2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide has a molecular weight of 270.12 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methyl-N-pyrazol-1-ylbenzamide is sourced from PubChem (CID 143746118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).