4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide

C11H8Cl3N3O — CID 892123

IUPAC4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl3N3O/c1-17-5-7(13)10(16-17)11(18)15-8-4-2-3-6(12)9(8)14/h2-5H,1H3,(H,15,18)
InChIKeyYNBXFDKKWNTDBO-UHFFFAOYSA-N
MW304.56 g/mol
LogP3.63
Rot. Bonds2

About 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide

4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 892123) has the molecular formula C11H8Cl3N3O and a molecular weight of 304.56 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID892123
Molecular FormulaC11H8Cl3N3O
Molecular Weight304.56 g/mol
Exact Mass302.97
IUPAC Name4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C11H8Cl3N3O/c1-17-5-7(13)10(16-17)11(18)15-8-4-2-3-6(12)9(8)14/h2-5H,1H3,(H,15,18)
InChIKeyYNBXFDKKWNTDBO-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.56
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide (CID 892123) is 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is YNBXFDKKWNTDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3O/c1-17-5-7(13)10(16-17)11(18)15-8-4-2-3-6(12)9(8)14/h2-5H,1H3,(H,15,18).
What are the key properties of 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide?
4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 304.56 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dichlorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 892123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).