N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

C14H16Cl2N4O — CID 28540908

IUPACN-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2c(Cl)cc(N)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N4O/c1-8-5-9(2)20(19-8)4-3-13(21)18-14-11(15)6-10(17)7-12(14)16/h5-7H,3-4,17H2,1-2H3,(H,18,21)
InChIKeyUPSXXSAGGDOCBF-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.42
Rot. Bonds4

About N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide

N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (PubChem CID 28540908) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
PubChem CID28540908
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC NameN-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
SMILESCc1cc(C)n(CCC(=O)Nc2c(Cl)cc(N)cc2Cl)n1
InChIInChI=1S/C14H16Cl2N4O/c1-8-5-9(2)20(19-8)4-3-13(21)18-14-11(15)6-10(17)7-12(14)16/h5-7H,3-4,17H2,1-2H3,(H,18,21)
InChIKeyUPSXXSAGGDOCBF-UHFFFAOYSA-N
XLogP3.42
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-(2-amino-4,6-dichlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 29276076
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N-(4-chloro-2-pyrrol-1-ylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56582587
N-(1,5-dimethylpyrazol-4-yl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557477
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653
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
N-(4-amino-2,6-dichlorophenyl)-2-methylsulfanylacetamide
CID 61023180
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide (CID 28540908) is N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is Cc1cc(C)n(CCC(=O)Nc2c(Cl)cc(N)cc2Cl)n1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
The InChIKey is UPSXXSAGGDOCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-8-5-9(2)20(19-8)4-3-13(21)18-14-11(15)6-10(17)7-12(14)16/h5-7H,3-4,17H2,1-2H3,(H,18,21).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide?
N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide has a molecular weight of 327.22 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 28540908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).