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

C22H24FN3O2 — CID 91629547

IUPAC3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide
SMILESCc1cc(C)n(-c2ccc(CCC(=O)NCCOc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H24FN3O2/c1-16-15-17(2)26(25-16)20-8-3-18(4-9-20)5-12-22(27)24-13-14-28-21-10-6-19(23)7-11-21/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,24,27)
InChIKeyMSQZQYQJAYWSBI-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.76
Rot. Bonds8

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

3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide (PubChem CID 91629547) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide
PubChem CID91629547
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide
SMILESCc1cc(C)n(-c2ccc(CCC(=O)NCCOc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C22H24FN3O2/c1-16-15-17(2)26(25-16)20-8-3-18(4-9-20)5-12-22(27)24-13-14-28-21-10-6-19(23)7-11-21/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,24,27)
InChIKeyMSQZQYQJAYWSBI-UHFFFAOYSA-N
XLogP3.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.76
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-chloro-4-fluorophenyl)methyl]-2-[1-(4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106744
4-[3,4-Dimethyl-2-(4-methylphenyl)-7-oxo-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL]-N-[(4-ethoxyphenyl)methyl]butanamide
CID 16022700
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18122041
2-{3,4-Dimethyl-7-oxo-2-phenyl-2H,6H,7H-pyrazolo[3,4-D]pyridazin-6-YL}-N-[2-(4-ethoxyphenyl)ethyl]propanamide
CID 20919720
1,5-diphenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 145965539
4-[2-(ethylamino)ethyl]-1,5-diphenyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 145965861
(4-Aminophenyl)-[3,5-dimethyl-4-(4-methylphenoxy)pyrazol-1-yl]methanone
CID 145992560
N-[2-(4-ethoxyphenyl)ethyl]-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 16193356
N-[(3-methoxyphenyl)methyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 9116260
N-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 49800486
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106832
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(4-ethoxyphenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 25106834

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide?
The IUPAC name of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide (CID 91629547) is 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide.
What is the SMILES notation for 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide?
The canonical SMILES for 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide is Cc1cc(C)n(-c2ccc(CCC(=O)NCCOc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide?
The InChIKey is MSQZQYQJAYWSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-16-15-17(2)26(25-16)20-8-3-18(4-9-20)5-12-22(27)24-13-14-28-21-10-6-19(23)7-11-21/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,24,27).
What are the key properties of 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide?
3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide has a molecular weight of 381.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-N-[2-(4-fluorophenoxy)ethyl]propanamide is sourced from PubChem (CID 91629547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).