2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide

C22H25FN4OS — CID 56570962

IUPAC2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C22H25FN4OS/c1-27(15-22(28)24-18-9-11-20(29-2)12-10-18)13-3-4-19-14-21(26-25-19)16-5-7-17(23)8-6-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyYAYLPKLLYXWFCC-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.44
Rot. Bonds9

About 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide (PubChem CID 56570962) has the molecular formula C22H25FN4OS and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
PubChem CID56570962
Molecular FormulaC22H25FN4OS
Molecular Weight412.53 g/mol
Exact Mass412.17
IUPAC Name2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
SMILESCSc1ccc(NC(=O)CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1
InChIInChI=1S/C22H25FN4OS/c1-27(15-22(28)24-18-9-11-20(29-2)12-10-18)13-3-4-19-14-21(26-25-19)16-5-7-17(23)8-6-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,28)(H,25,26)
InChIKeyYAYLPKLLYXWFCC-UHFFFAOYSA-N
XLogP4.44
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392
N-[(4-chlorophenyl)methyl]-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539714
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
CID 56539587
N-(2-cyclopentylpyrazol-3-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56539454
3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-1H-pyrazole-5-carboxamide
CID 45030519
1-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(4-methylphenyl)urea
CID 51127515
3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 56571263
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56571223
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 56539493
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 56539806
N-(4-fluorophenyl)-2-[2-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-2-oxoethyl]sulfanylacetamide
CID 55954871
N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539527

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide (CID 56570962) is 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide is CSc1ccc(NC(=O)CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)cc1.
What is the InChIKey of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide?
The InChIKey is YAYLPKLLYXWFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4OS/c1-27(15-22(28)24-18-9-11-20(29-2)12-10-18)13-3-4-19-14-21(26-25-19)16-5-7-17(23)8-6-16/h5-12,14H,3-4,13,15H2,1-2H3,(H,24,28)(H,25,26).
What are the key properties of 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide?
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide has a molecular weight of 412.53 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 56570962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).