1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide

C20H19Cl2N3O — CID 2558818

IUPAC1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N3O/c1-14-18(19(22)25(24-14)13-16-5-3-2-4-6-16)20(26)23-12-11-15-7-9-17(21)10-8-15/h2-10H,11-13H2,1H3,(H,23,26)
InChIKeyLPOURIZKBMDJMN-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.52
Rot. Bonds6

About 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide (PubChem CID 2558818) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide
PubChem CID2558818
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H19Cl2N3O/c1-14-18(19(22)25(24-14)13-16-5-3-2-4-6-16)20(26)23-12-11-15-7-9-17(21)10-8-15/h2-10H,11-13H2,1H3,(H,23,26)
InChIKeyLPOURIZKBMDJMN-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide (CID 2558818) is 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is LPOURIZKBMDJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-14-18(19(22)25(24-14)13-16-5-3-2-4-6-16)20(26)23-12-11-15-7-9-17(21)10-8-15/h2-10H,11-13H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 388.30 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-[2-(4-chlorophenyl)ethyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 2558818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).