5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide

C20H19Cl2N3O — CID 2572338

IUPAC5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H19Cl2N3O/c1-14-18(20(26)23-12-11-15-7-3-2-4-8-15)19(22)25(24-14)13-16-9-5-6-10-17(16)21/h2-10H,11-13H2,1H3,(H,23,26)
InChIKeyCGRORWYCNVUCNL-UHFFFAOYSA-N
MW388.30 g/mol
LogP4.52
Rot. Bonds6

About 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide

5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (PubChem CID 2572338) has the molecular formula C20H19Cl2N3O and a molecular weight of 388.30 g/mol. Its IUPAC name is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
PubChem CID2572338
Molecular FormulaC20H19Cl2N3O
Molecular Weight388.30 g/mol
Exact Mass387.09
IUPAC Name5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H19Cl2N3O/c1-14-18(20(26)23-12-11-15-7-3-2-4-8-15)19(22)25(24-14)13-16-9-5-6-10-17(16)21/h2-10H,11-13H2,1H3,(H,23,26)
InChIKeyCGRORWYCNVUCNL-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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Related Compounds

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N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (CID 2572338) is 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is CGRORWYCNVUCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O/c1-14-18(20(26)23-12-11-15-7-3-2-4-8-15)19(22)25(24-14)13-16-9-5-6-10-17(16)21/h2-10H,11-13H2,1H3,(H,23,26).
What are the key properties of 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-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 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2572338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).