3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide

C21H20Cl2N4O2 — CID 55493282

IUPAC3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(C)nn1-c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20Cl2N4O2/c1-13-10-20(27(26-13)18-5-3-4-17(23)11-18)25-21(29)12-19(24-14(2)28)15-6-8-16(22)9-7-15/h3-11,19H,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyCCCZFCWYZWEJJM-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.69
Rot. Bonds6

About 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide

3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide (PubChem CID 55493282) has the molecular formula C21H20Cl2N4O2 and a molecular weight of 431.32 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide
PubChem CID55493282
Molecular FormulaC21H20Cl2N4O2
Molecular Weight431.32 g/mol
Exact Mass430.10
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(C)nn1-c1cccc(Cl)c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H20Cl2N4O2/c1-13-10-20(27(26-13)18-5-3-4-17(23)11-18)25-21(29)12-19(24-14(2)28)15-6-8-16(22)9-7-15/h3-11,19H,12H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyCCCZFCWYZWEJJM-UHFFFAOYSA-N
XLogP4.69
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-3-(4-chlorophenyl)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]propanamide
CID 55520210
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
3-acetamido-N-[2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-yl]-3-phenylpropanamide
CID 55520113
3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
3-acetamido-3-(4-chlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 55876842
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55870563
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide
CID 78830466

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide (CID 55493282) is 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide is CC(=O)NC(CC(=O)Nc1cc(C)nn1-c1cccc(Cl)c1)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide?
The InChIKey is CCCZFCWYZWEJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O2/c1-13-10-20(27(26-13)18-5-3-4-17(23)11-18)25-21(29)12-19(24-14(2)28)15-6-8-16(22)9-7-15/h3-11,19H,12H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide?
3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide has a molecular weight of 431.32 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 55493282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).