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

C12H16F3N3O2 — CID 17060240

IUPACN-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C12H16F3N3O2/c1-20-6-5-16-10(19)7-18-9-4-2-3-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19)
InChIKeyMXHRTXVKMXKDSR-UHFFFAOYSA-N
MW291.27 g/mol
LogP1.15
Rot. Bonds5

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

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 17060240) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID17060240
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCOCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C12H16F3N3O2/c1-20-6-5-16-10(19)7-18-9-4-2-3-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19)
InChIKeyMXHRTXVKMXKDSR-UHFFFAOYSA-N
XLogP1.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 17060240) is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is COCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is MXHRTXVKMXKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-20-6-5-16-10(19)7-18-9-4-2-3-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 291.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 17060240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).