N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

C16H21N3O — CID 20950798

IUPACN-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C16H21N3O/c1-9-6-7-14(10(2)8-9)17-16(20)11(3)15-12(4)18-19-13(15)5/h6-8,11H,1-5H3,(H,17,20)(H,18,19)
InChIKeyPNEYMGMARBHLRU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.39
Rot. Bonds3

About N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide

N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (PubChem CID 20950798) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
PubChem CID20950798
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
SMILESCc1ccc(NC(=O)C(C)c2c(C)n[nH]c2C)c(C)c1
InChIInChI=1S/C16H21N3O/c1-9-6-7-14(10(2)8-9)17-16(20)11(3)15-12(4)18-19-13(15)5/h6-8,11H,1-5H3,(H,17,20)(H,18,19)
InChIKeyPNEYMGMARBHLRU-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 20950805
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3-methoxyphenyl)propanamide
CID 20950780
N-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 20865070
4-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 75434274
(2R)-N-(2,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228302
(2S)-N-(2,4-dimethylphenyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 8553850
N-(2,4-dimethylphenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 51318164
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 75655752
1-(2,4-dimethylphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887302
N-(2,4-dimethylphenyl)-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 110857186
2-amino-N-(2,4-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892717

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide (CID 20950798) is N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is Cc1ccc(NC(=O)C(C)c2c(C)n[nH]c2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
The InChIKey is PNEYMGMARBHLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-9-6-7-14(10(2)8-9)17-16(20)11(3)15-12(4)18-19-13(15)5/h6-8,11H,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide?
N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide has a molecular weight of 271.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 20950798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).