N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H22FN3O2 — CID 37361221

IUPACN-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c1-12-16(13(2)21(3)20-12)8-9-17(22)19-10-11-23-15-6-4-14(18)5-7-15/h4-7H,8-11H2,1-3H3,(H,19,22)
InChIKeyMRNIEUNFUVMBHP-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 37361221) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID37361221
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC NameN-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CCC(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C17H22FN3O2/c1-12-16(13(2)21(3)20-12)8-9-17(22)19-10-11-23-15-6-4-14(18)5-7-15/h4-7H,8-11H2,1-3H3,(H,19,22)
InChIKeyMRNIEUNFUVMBHP-UHFFFAOYSA-N
XLogP2.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.30
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

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 658913
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-(4-methylphenoxy)acetamide
CID 661649
ethyl (4-{[3-(4-methoxyphenyl)propanoyl]amino}-3,5-dimethyl-1H-pyrazol-1-yl)acetate
CID 1506934
1-tert-butyl-N-(2-phenoxyethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 40172767
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-2,2-dimethylpropanamide
CID 3774757
N'-(2-ethoxyphenyl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methylurea
CID 16028542
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817132
3-[1-(4-Fluorophenyl)-5-(2-methoxyphenoxy)-3-methyl-1H-pyrazol-4-YL]-N-(2-methylpropyl)propanamide
CID 46042663
3-[5-(3-Fluorophenoxy)-3-methyl-1-(2-methylphenyl)-1H-pyrazol-4-YL]-N-(prop-2-EN-1-YL)propanamide
CID 46042928
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 16026477
3-[3-ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)pyrazol-4-yl]-N-(2-methoxyethyl)propanamide
CID 46042434
3-[3-Ethyl-5-(2-fluorophenoxy)-1-(4-methoxyphenyl)-1H-pyrazol-4-YL]-N-(propan-2-YL)propanamide
CID 46042436

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 37361221) is N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CCC(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is MRNIEUNFUVMBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-12-16(13(2)21(3)20-12)8-9-17(22)19-10-11-23-15-6-4-14(18)5-7-15/h4-7H,8-11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 319.38 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 37361221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).