N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide

C19H20FN3O2S — CID 122161610

IUPACN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1nn(CCNC(=O)COc2ccccc2F)c(C)c1-c1ccsc1
InChIInChI=1S/C19H20FN3O2S/c1-13-19(15-7-10-26-12-15)14(2)23(22-13)9-8-21-18(24)11-25-17-6-4-3-5-16(17)20/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,24)
InChIKeyDFOZBOZZJZZUJF-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.56
Rot. Bonds7

About N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide

N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 122161610) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide
PubChem CID122161610
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide
SMILESCc1nn(CCNC(=O)COc2ccccc2F)c(C)c1-c1ccsc1
InChIInChI=1S/C19H20FN3O2S/c1-13-19(15-7-10-26-12-15)14(2)23(22-13)9-8-21-18(24)11-25-17-6-4-3-5-16(17)20/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,24)
InChIKeyDFOZBOZZJZZUJF-UHFFFAOYSA-N
XLogP3.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzylsulfanyl-N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]acetamide
CID 122161668
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 122161661
2-(2-fluorophenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277156
N-[2-(2-fluorophenoxy)ethyl]-2-(2-methylphenoxy)acetamide
CID 18113601
2-phenoxy-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 110716769
2-(2-ethoxyphenoxy)-N-[2-(2-fluorophenoxy)ethyl]acetamide
CID 8961012
2-(2-fluorophenoxy)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]acetamide
CID 16931482
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]cyclopropanesulfonamide
CID 122161697
2-(2,4-difluorophenyl)-N-[2-(3,5-dimethyl-4-thiophen-2-ylpyrazol-1-yl)ethyl]acetamide
CID 122244550
2-(2-fluorophenoxy)-N-(3-pyrrol-1-ylpropyl)acetamide
CID 90500606
2-(2-fluorophenoxy)-N-[2-(1-methylpyrrol-3-yl)ethyl]acetamide
CID 110789233
N-[2-(3,5-dimethyl-4-phenylpyrazol-1-yl)ethyl]-2-methylbenzamide
CID 122161592

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide (CID 122161610) is N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide is Cc1nn(CCNC(=O)COc2ccccc2F)c(C)c1-c1ccsc1.
What is the InChIKey of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is DFOZBOZZJZZUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-13-19(15-7-10-26-12-15)14(2)23(22-13)9-8-21-18(24)11-25-17-6-4-3-5-16(17)20/h3-7,10,12H,8-9,11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide?
N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 373.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-4-thiophen-3-ylpyrazol-1-yl)ethyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 122161610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).