2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide

C18H24ClN3O2 — CID 25163660

IUPAC2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
SMILESCc1cc(C)n(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H24ClN3O2/c1-13-12-14(2)22(21-13)11-5-10-20-17(23)18(3,4)24-16-8-6-15(19)7-9-16/h6-9,12H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyULBHBIRDEBNLNJ-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.52
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide (PubChem CID 25163660) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
PubChem CID25163660
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
SMILESCc1cc(C)n(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H24ClN3O2/c1-13-12-14(2)22(21-13)11-5-10-20-17(23)18(3,4)24-16-8-6-15(19)7-9-16/h6-9,12H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyULBHBIRDEBNLNJ-UHFFFAOYSA-N
XLogP3.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 841892
2-(4-chlorophenoxy)-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-2-methylpropanohydrazide
CID 9616080
ethyl (4-{[(3-chlorophenoxy)acetyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1507424
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 8721994
2-(4-chlorophenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 4825974
2-(4-chlorophenoxy)-2-methyl-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methylene]propanohydrazide
CID 9563617
2-(4-chlorophenoxy)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-methylpropanohydrazide
CID 9616081
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-phenoxyacetamide
CID 661935
N-(3-chlorophenyl)-2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)acetamide
CID 2746417
2-(4-chloro-2-methylphenoxy)-N-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]acetamide
CID 2970278
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 8944249
2-(4-chlorophenoxy)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]acetamide
CID 9501782

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide (CID 25163660) is 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide is Cc1cc(C)n(CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide?
The InChIKey is ULBHBIRDEBNLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13-12-14(2)22(21-13)11-5-10-20-17(23)18(3,4)24-16-8-6-15(19)7-9-16/h6-9,12H,5,10-11H2,1-4H3,(H,20,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide has a molecular weight of 349.86 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide is sourced from PubChem (CID 25163660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).