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

C17H18F3N3O — CID 1129740

IUPACN-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C17H18F3N3O/c1-22(10-12-6-3-2-4-7-12)15(24)11-23-14-9-5-8-13(14)16(21-23)17(18,19)20/h2-4,6-7H,5,8-11H2,1H3
InChIKeyMBEGTXATLRQUHV-UHFFFAOYSA-N
MW337.34 g/mol
LogP3.05
Rot. Bonds4

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

N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 1129740) has the molecular formula C17H18F3N3O and a molecular weight of 337.34 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID1129740
Molecular FormulaC17H18F3N3O
Molecular Weight337.34 g/mol
Exact Mass337.14
IUPAC NameN-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCN(Cc1ccccc1)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C17H18F3N3O/c1-22(10-12-6-3-2-4-7-12)15(24)11-23-14-9-5-8-13(14)16(21-23)17(18,19)20/h2-4,6-7H,5,8-11H2,1H3
InChIKeyMBEGTXATLRQUHV-UHFFFAOYSA-N
XLogP3.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide
CID 24826364
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-N-methyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19531188
1-[methyl-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]pyrazole-3-carboxamide
CID 67203547
2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 788042
N-pyridin-2-yl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 58267378
methyl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788041
N-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527286
3-[2-oxo-3-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]propyl]benzamide
CID 58267383
N-(5-methyl-2-phenylpyrazol-3-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 1129733
N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
CID 149396130
propan-2-yl 2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetate
CID 788044
(2S)-N-methyl-4-oxo-N-phenyl-2-(thiophen-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
CID 158912038

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 1129740) is N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is CN(Cc1ccccc1)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is MBEGTXATLRQUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-22(10-12-6-3-2-4-7-12)15(24)11-23-14-9-5-8-13(14)16(21-23)17(18,19)20/h2-4,6-7H,5,8-11H2,1H3.
What are the key properties of N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 1129740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).