3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide

C14H15Cl2N3O — CID 115680816

IUPAC3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
SMILESCCc1cn[nH]c1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-2-9-8-17-19-14(9)18-13(20)6-4-10-3-5-11(15)7-12(10)16/h3,5,7-8H,2,4,6H2,1H3,(H2,17,18,19,20)
InChIKeyMZITWTYKLLVEHZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.85
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide

3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide (PubChem CID 115680816) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
PubChem CID115680816
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
SMILESCCc1cn[nH]c1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O/c1-2-9-8-17-19-14(9)18-13(20)6-4-10-3-5-11(15)7-12(10)16/h3,5,7-8H,2,4,6H2,1H3,(H2,17,18,19,20)
InChIKeyMZITWTYKLLVEHZ-UHFFFAOYSA-N
XLogP3.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 112691373
3-(3,4-difluorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115692372
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
3-bromo-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104617783
3-(2,4-dichlorophenyl)-N-(2-methylsulfanylphenyl)propanamide
CID 100606765
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
5-[3-(2,4-dichlorophenyl)propanoylamino]thiophene-2-carboxylic acid
CID 43474341
N-(3-acetylphenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606597
N-(4-bromo-3-chlorophenyl)-3-(2,4-dichlorophenyl)propanamide
CID 100606713
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
2-[3-(2,4-dichlorophenyl)propanoylamino]-3-methylpentanoic acid
CID 43356411
3-(2,4-dichlorophenyl)-N-naphthalen-2-ylpropanamide
CID 100605346

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide (CID 115680816) is 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide is CCc1cn[nH]c1NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
The InChIKey is MZITWTYKLLVEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-2-9-8-17-19-14(9)18-13(20)6-4-10-3-5-11(15)7-12(10)16/h3,5,7-8H,2,4,6H2,1H3,(H2,17,18,19,20).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide?
3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide has a molecular weight of 312.20 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 115680816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).