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

C13H13Cl2N3O — CID 112691373

IUPAC3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-8-7-16-18-13(8)17-12(19)5-3-9-2-4-10(14)6-11(9)15/h2,4,6-7H,3,5H2,1H3,(H2,16,17,18,19)
InChIKeyLDPVSEMJIXMCPE-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.60
Rot. Bonds4

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

3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide (PubChem CID 112691373) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
PubChem CID112691373
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
SMILESCc1cn[nH]c1NC(=O)CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-8-7-16-18-13(8)17-12(19)5-3-9-2-4-10(14)6-11(9)15/h2,4,6-7H,3,5H2,1H3,(H2,16,17,18,19)
InChIKeyLDPVSEMJIXMCPE-UHFFFAOYSA-N
XLogP3.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dichlorophenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 115680816
2-(3,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 112691199
3-(2,4-dichlorophenyl)-N-methylpropanamide
CID 60731277
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
2,5-dichloro-N-(4-methyl-1H-pyrazol-5-yl)benzamide
CID 112691317
N-(4-methyl-1H-pyrazol-5-yl)-3-pyridin-4-ylpropanamide
CID 112691455
2-(2,4-difluorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)acetamide
CID 113253808
1-(4-chlorophenyl)-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 113238275
6-amino-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)hexanamide
CID 104619007
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856
3-(2,4-dichlorophenyl)-N-[2-methyl-5-(tetrazol-1-yl)phenyl]propanamide
CID 55780794
3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 100608718

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide (CID 112691373) is 3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide is Cc1cn[nH]c1NC(=O)CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
The InChIKey is LDPVSEMJIXMCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-8-7-16-18-13(8)17-12(19)5-3-9-2-4-10(14)6-11(9)15/h2,4,6-7H,3,5H2,1H3,(H2,16,17,18,19).
What are the key properties of 3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide?
3-(2,4-dichlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide has a molecular weight of 298.17 g/mol, XLogP of 3.60, 4 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-methyl-1H-pyrazol-5-yl)propanamide is sourced from PubChem (CID 112691373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).