2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide

C11H9Cl2N3O — CID 4862736

IUPAC2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl2N3O/c1-16-5-4-10(15-16)14-11(17)8-3-2-7(12)6-9(8)13/h2-6H,1H3,(H,14,15,17)
InChIKeyDHIYFBKOBPPKQN-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.98
Rot. Bonds2

About 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide

2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 4862736) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID4862736
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H9Cl2N3O/c1-16-5-4-10(15-16)14-11(17)8-3-2-7(12)6-9(8)13/h2-6H,1H3,(H,14,15,17)
InChIKeyDHIYFBKOBPPKQN-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide (CID 4862736) is 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is DHIYFBKOBPPKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-16-5-4-10(15-16)14-11(17)8-3-2-7(12)6-9(8)13/h2-6H,1H3,(H,14,15,17).
What are the key properties of 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide?
2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 270.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 4862736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).