N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide

C21H22FN3O2S — CID 71797459

IUPACN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C21H22FN3O2S/c22-17-8-3-4-9-19(17)27-14-21(26)23-13-15-12-18(20-10-5-11-28-20)25(24-15)16-6-1-2-7-16/h3-5,8-12,16H,1-2,6-7,13-14H2,(H,23,26)
InChIKeyFXCWIBGTGOGLSS-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.56
Rot. Bonds7

About N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide

N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 71797459) has the molecular formula C21H22FN3O2S and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
PubChem CID71797459
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC NameN-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
SMILESO=C(COc1ccccc1F)NCc1cc(-c2cccs2)n(C2CCCC2)n1
InChIInChI=1S/C21H22FN3O2S/c22-17-8-3-4-9-19(17)27-14-21(26)23-13-15-12-18(20-10-5-11-28-20)25(24-15)16-6-1-2-7-16/h3-5,8-12,16H,1-2,6-7,13-14H2,(H,23,26)
InChIKeyFXCWIBGTGOGLSS-UHFFFAOYSA-N
XLogP4.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 71797569
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 90555336
N-[(3-cyclopentyl-4-oxophthalazin-1-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 90490230
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 90555311
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
CID 71797450
(3S)-N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97104827
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 90555872
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 90555989
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 90555360
1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxylic acid
CID 82302693
1-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(2-fluorophenyl)urea
CID 90555522
N-[(1-cyclopropylbenzimidazol-2-yl)methyl]-2-(2-fluorophenoxy)acetamide
CID 110712137

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide (CID 71797459) is N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide is O=C(COc1ccccc1F)NCc1cc(-c2cccs2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is FXCWIBGTGOGLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2S/c22-17-8-3-4-9-19(17)27-14-21(26)23-13-15-12-18(20-10-5-11-28-20)25(24-15)16-6-1-2-7-16/h3-5,8-12,16H,1-2,6-7,13-14H2,(H,23,26).
What are the key properties of N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide?
N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 399.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-thiophen-2-ylpyrazol-3-yl)methyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 71797459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).