2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide

C18H24ClN3O — CID 19537869

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)n1nc(C)c(Cl)c1C)c1ccc(C)cc1
InChIInChI=1S/C18H24ClN3O/c1-6-16(15-9-7-11(2)8-10-15)20-18(23)14(5)22-13(4)17(19)12(3)21-22/h7-10,14,16H,6H2,1-5H3,(H,20,23)
InChIKeyGLXGKYGHCPFGOY-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.29
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide (PubChem CID 19537869) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
PubChem CID19537869
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)C(C)n1nc(C)c(Cl)c1C)c1ccc(C)cc1
InChIInChI=1S/C18H24ClN3O/c1-6-16(15-9-7-11(2)8-10-15)20-18(23)14(5)22-13(4)17(19)12(3)21-22/h7-10,14,16H,6H2,1-5H3,(H,20,23)
InChIKeyGLXGKYGHCPFGOY-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19538791
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126
N-[1-(4-butan-2-ylphenyl)propyl]-2-(4-chloro-3-methylpyrazol-1-yl)propanamide
CID 19533983
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
2-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19533979
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19525503
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide (CID 19537869) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide is CCC(NC(=O)C(C)n1nc(C)c(Cl)c1C)c1ccc(C)cc1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
The InChIKey is GLXGKYGHCPFGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-6-16(15-9-7-11(2)8-10-15)20-18(23)14(5)22-13(4)17(19)12(3)21-22/h7-10,14,16H,6H2,1-5H3,(H,20,23).
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide has a molecular weight of 333.86 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 19537869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).