N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide

C26H24ClN3O — CID 1013220

IUPACN-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide
SMILESCc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24ClN3O/c1-18-25(19(2)30(29-18)17-20-13-15-23(27)16-14-20)28-26(31)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,24H,17H2,1-2H3,(H,28,31)
InChIKeyHUVNHYZVYNLNRB-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.97
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide

N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide (PubChem CID 1013220) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide
PubChem CID1013220
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC NameN-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide
SMILESCc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H24ClN3O/c1-18-25(19(2)30(29-18)17-20-13-15-23(27)16-14-20)28-26(31)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,24H,17H2,1-2H3,(H,28,31)
InChIKeyHUVNHYZVYNLNRB-UHFFFAOYSA-N
XLogP5.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide 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 N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide (CID 1013220) is N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide is Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide?
The InChIKey is HUVNHYZVYNLNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c1-18-25(19(2)30(29-18)17-20-13-15-23(27)16-14-20)28-26(31)24(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,24H,17H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide?
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide has a molecular weight of 429.95 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 1013220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).