2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide

C17H18FN5O — CID 71973351

IUPAC2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESN#Cc1cc(NCC(=O)Nc2ccnn2C2CCCC2)ccc1F
InChIInChI=1S/C17H18FN5O/c18-15-6-5-13(9-12(15)10-19)20-11-17(24)22-16-7-8-21-23(16)14-3-1-2-4-14/h5-9,14,20H,1-4,11H2,(H,22,24)
InChIKeyICHRYTQMUKKWDT-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.06
Rot. Bonds5

About 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 71973351) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID71973351
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESN#Cc1cc(NCC(=O)Nc2ccnn2C2CCCC2)ccc1F
InChIInChI=1S/C17H18FN5O/c18-15-6-5-13(9-12(15)10-19)20-11-17(24)22-16-7-8-21-23(16)14-3-1-2-4-14/h5-9,14,20H,1-4,11H2,(H,22,24)
InChIKeyICHRYTQMUKKWDT-UHFFFAOYSA-N
XLogP3.06
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
N-(2-cyclopentylpyrazol-3-yl)-2-(4-ethoxyanilino)acetamide
CID 78815624
2-(3-cyano-4-fluoroanilino)-N-phenylacetamide
CID 62317173
N-(4-bromophenyl)-2-(3-cyano-4-fluoroanilino)acetamide
CID 62317531
N-(2-cyclopentylpyrazol-3-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 8771027
N-(2-cyclohexylpyrazol-3-yl)-3,4-difluorobenzamide
CID 51192351
2-(3-cyano-4-fluoroanilino)-N-(2-fluorophenyl)acetamide
CID 62317346
2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
2-anilino-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316865
N-(3-cyano-4-fluorophenyl)-2-cyclopentylacetamide
CID 62315620
3-cyano-N-(2-cyclohexylpyrazol-3-yl)benzamide
CID 51145778
2-(benzhydrylamino)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8596124

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 71973351) is 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide is N#Cc1cc(NCC(=O)Nc2ccnn2C2CCCC2)ccc1F.
What is the InChIKey of 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is ICHRYTQMUKKWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-15-6-5-13(9-12(15)10-19)20-11-17(24)22-16-7-8-21-23(16)14-3-1-2-4-14/h5-9,14,20H,1-4,11H2,(H,22,24).
What are the key properties of 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4-fluoroanilino)-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 71973351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).