2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide

C16H17ClFN3O — CID 8819868

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H17ClFN3O/c17-13-6-3-7-14(18)12(13)10-16(22)20-15-8-9-19-21(15)11-4-1-2-5-11/h3,6-9,11H,1-2,4-5,10H2,(H,20,22)
InChIKeyCGBSPYYPAQWDCW-UHFFFAOYSA-N
MW321.78 g/mol
LogP3.97
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 8819868) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID8819868
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H17ClFN3O/c17-13-6-3-7-14(18)12(13)10-16(22)20-15-8-9-19-21(15)11-4-1-2-5-11/h3,6-9,11H,1-2,4-5,10H2,(H,20,22)
InChIKeyCGBSPYYPAQWDCW-UHFFFAOYSA-N
XLogP3.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27831482
2-chloro-N-(2-cyclobutylpyrazol-3-yl)acetamide
CID 166407634
(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26390940
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 99180754
2-(3-chlorophenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 35142597
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 78778300
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140097
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
2-[(3-chlorophenyl)methylsulfanyl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 112763552
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 8819868) is 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1ccnn1C1CCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is CGBSPYYPAQWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c17-13-6-3-7-14(18)12(13)10-16(22)20-15-8-9-19-21(15)11-4-1-2-5-11/h3,6-9,11H,1-2,4-5,10H2,(H,20,22).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 321.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 8819868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).