1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide

C20H20ClN3O — CID 2556991

IUPAC1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H20ClN3O/c1-15-18(20(25)22-13-12-16-8-4-2-5-9-16)19(21)24(23-15)14-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,22,25)
InChIKeyAYAUVESGFXIOBM-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.87
Rot. Bonds6

About 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide

1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (PubChem CID 2556991) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
PubChem CID2556991
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H20ClN3O/c1-15-18(20(25)22-13-12-16-8-4-2-5-9-16)19(21)24(23-15)14-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,22,25)
InChIKeyAYAUVESGFXIOBM-UHFFFAOYSA-N
XLogP3.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide (CID 2556991) is 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
The InChIKey is AYAUVESGFXIOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-15-18(20(25)22-13-12-16-8-4-2-5-9-16)19(21)24(23-15)14-17-10-6-3-7-11-17/h2-11H,12-14H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide?
1-benzyl-5-chloro-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 3.87, 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-3-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 2556991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).