N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide

C14H17N3O — CID 47156281

IUPACN-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)n1cccn1
InChIInChI=1S/C14H17N3O/c1-10-6-4-7-11(2)13(10)16-14(18)12(3)17-9-5-8-15-17/h4-9,12H,1-3H3,(H,16,18)
InChIKeyOXOJUISZJOVRQA-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.70
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide

N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 47156281) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
PubChem CID47156281
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)n1cccn1
InChIInChI=1S/C14H17N3O/c1-10-6-4-7-11(2)13(10)16-14(18)12(3)17-9-5-8-15-17/h4-9,12H,1-3H3,(H,16,18)
InChIKeyOXOJUISZJOVRQA-UHFFFAOYSA-N
XLogP2.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534343
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
3-chloro-2-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 107047376
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113252041
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyrazol-1-ylpropanamide
CID 134048516
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
4-methyl-3-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211107

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide (CID 47156281) is N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide is Cc1cccc(C)c1NC(=O)C(C)n1cccn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is OXOJUISZJOVRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-4-7-11(2)13(10)16-14(18)12(3)17-9-5-8-15-17/h4-9,12H,1-3H3,(H,16,18).
What are the key properties of N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide?
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 243.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47156281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).