N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C20H20ClN3O — CID 9209741

IUPACN-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O/c1-14-18(15(2)24(23-14)17-9-4-3-5-10-17)12-20(25)22-13-16-8-6-7-11-19(16)21/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyHIZFUSLDAAYNLL-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.00
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 9209741) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID9209741
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O/c1-14-18(15(2)24(23-14)17-9-4-3-5-10-17)12-20(25)22-13-16-8-6-7-11-19(16)21/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyHIZFUSLDAAYNLL-UHFFFAOYSA-N
XLogP4.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 9209741) is N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is HIZFUSLDAAYNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14-18(15(2)24(23-14)17-9-4-3-5-10-17)12-20(25)22-13-16-8-6-7-11-19(16)21/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 353.85 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9209741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).