N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

C16H21N3O — CID 19553862

IUPACN-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C16H21N3O/c1-11-6-5-7-12(2)16(11)17-15(20)8-9-19-14(4)10-13(3)18-19/h5-7,10H,8-9H2,1-4H3,(H,17,20)
InChIKeyNUDRAILLXJTOQJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.15
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 19553862) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID19553862
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2c(C)cccc2C)n1
InChIInChI=1S/C16H21N3O/c1-11-6-5-7-12(2)16(11)17-15(20)8-9-19-14(4)10-13(3)18-19/h5-7,10H,8-9H2,1-4H3,(H,17,20)
InChIKeyNUDRAILLXJTOQJ-UHFFFAOYSA-N
XLogP3.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 28540908
N-[4-(diethylamino)phenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553830
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 24672665
4-(3,5-dimethylpyrazol-1-yl)-N-phenylbutanamide
CID 39730494
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56582587
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 19553877
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-2-hydroxybenzohydrazide
CID 30124446
methyl 3-[2-[3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]phenyl]ethynyl]benzoate
CID 30750673

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 19553862) is N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2c(C)cccc2C)n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is NUDRAILLXJTOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-6-5-7-12(2)16(11)17-15(20)8-9-19-14(4)10-13(3)18-19/h5-7,10H,8-9H2,1-4H3,(H,17,20).
What are the key properties of N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19553862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).