4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide

C20H17Cl2N3O2 — CID 86968466

IUPAC4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-3-1-15(2-4-16)19(26)9-10-20(27)23-11-14-12-24-25(13-14)18-7-5-17(22)6-8-18/h1-8,12-13H,9-11H2,(H,23,27)
InChIKeyKRDSGVGTKROPRC-UHFFFAOYSA-N
MW402.28 g/mol
LogP4.46
Rot. Bonds7

About 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide

4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide (PubChem CID 86968466) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
PubChem CID86968466
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(Cl)cc1)NCc1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17Cl2N3O2/c21-16-3-1-15(2-4-16)19(26)9-10-20(27)23-11-14-12-24-25(13-14)18-7-5-17(22)6-8-18/h1-8,12-13H,9-11H2,(H,23,27)
InChIKeyKRDSGVGTKROPRC-UHFFFAOYSA-N
XLogP4.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-phenoxybutanamide
CID 86968573
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 86968301
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methylhexanamide
CID 86968262
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-6-ethoxypyridine-3-carboxamide
CID 86968541
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 86968568
4-[3-oxo-3-[(1-phenylpyrazol-4-yl)methylamino]propyl]benzoic acid
CID 84589243
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 86970075
5-chloro-N-[(1-phenylpyrazol-4-yl)methyl]pentanamide
CID 43347095
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
4-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoyl-ethylamino]methyl]-N,N-dimethylbenzamide
CID 86970424
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 86968649
3-(2,5-dichlorophenoxy)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47065544

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide (CID 86968466) is 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide is O=C(CCC(=O)c1ccc(Cl)cc1)NCc1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide?
The InChIKey is KRDSGVGTKROPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O2/c21-16-3-1-15(2-4-16)19(26)9-10-20(27)23-11-14-12-24-25(13-14)18-7-5-17(22)6-8-18/h1-8,12-13H,9-11H2,(H,23,27).
What are the key properties of 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide?
4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide has a molecular weight of 402.28 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 86968466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).