N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

C17H18F3N3O — CID 3136370

IUPACN-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccccc1
InChIInChI=1S/C17H18F3N3O/c1-11(12-6-3-2-4-7-12)21-15(24)10-23-14-9-5-8-13(14)16(22-23)17(18,19)20/h2-4,6-7,11H,5,8-10H2,1H3,(H,21,24)
InChIKeyFRUNTQIJSYUPMU-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.27
Rot. Bonds4

About N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide

N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 3136370) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID3136370
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC NameN-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccccc1
InChIInChI=1S/C17H18F3N3O/c1-11(12-6-3-2-4-7-12)21-15(24)10-23-14-9-5-8-13(14)16(22-23)17(18,19)20/h2-4,6-7,11H,5,8-10H2,1H3,(H,21,24)
InChIKeyFRUNTQIJSYUPMU-UHFFFAOYSA-N
XLogP3.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
3-(2-fluorophenyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acrylamide
CID 1224573
(1S,3R)-N-((5-(3,5-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45273537
5-Cyclopropyl-N-(2,5-dimethylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-acetamide
CID 843371
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
N-(1-phenylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308827
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-{3-oxo-1-[2-(trifluoromethyl)benzyl]-2-piperazinyl}acetamide
CID 16187815
(1S,3R)-3-fluoro-N-((5-(3-fluoro-5-(trifluoromethyl)phenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)cyclopentanamine
CID 45269228
(1S,3R)-N-((5-(3,4-difluorophenyl)-1,4-dimethyl-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270082
(1S,3R)-N-((1,4-dimethyl-5-(3,4,5-trifluorophenyl)-1H-pyrazol-3-yl)methyl)-3-fluorocyclopentanamine
CID 45270917

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 3136370) is N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is CC(NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is FRUNTQIJSYUPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-11(12-6-3-2-4-7-12)21-15(24)10-23-14-9-5-8-13(14)16(22-23)17(18,19)20/h2-4,6-7,11H,5,8-10H2,1H3,(H,21,24).
What are the key properties of N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 3136370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).