4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide

C11H9Cl2N3O — CID 903329

IUPAC4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H9Cl2N3O/c1-16-10(9(13)6-14-16)11(17)15-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,17)
InChIKeyIUOVROCELBMJTJ-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.98
Rot. Bonds2

About 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide

4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide (PubChem CID 903329) has the molecular formula C11H9Cl2N3O and a molecular weight of 270.12 g/mol. Its IUPAC name is 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide
PubChem CID903329
Molecular FormulaC11H9Cl2N3O
Molecular Weight270.12 g/mol
Exact Mass269.01
IUPAC Name4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C11H9Cl2N3O/c1-16-10(9(13)6-14-16)11(17)15-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,17)
InChIKeyIUOVROCELBMJTJ-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 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide (CID 903329) is 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide is Cn1ncc(Cl)c1C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is IUOVROCELBMJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O/c1-16-10(9(13)6-14-16)11(17)15-8-4-2-3-7(12)5-8/h2-6H,1H3,(H,15,17).
What are the key properties of 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide?
4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide 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 4-chloro-N-(3-chlorophenyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 903329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).