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

C17H16F3N3O2 — CID 1129764

IUPACN-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c1
InChIInChI=1S/C17H16F3N3O2/c1-10(24)11-4-2-5-12(8-11)21-15(25)9-23-14-7-3-6-13(14)16(22-23)17(18,19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,21,25)
InChIKeyBCYIUMPCEUVOMX-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.23
Rot. Bonds4

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

N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 1129764) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID1129764
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c1
InChIInChI=1S/C17H16F3N3O2/c1-10(24)11-4-2-5-12(8-11)21-15(25)9-23-14-7-3-6-13(14)16(22-23)17(18,19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,21,25)
InChIKeyBCYIUMPCEUVOMX-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 1129764) is N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is CC(=O)c1cccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is BCYIUMPCEUVOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-10(24)11-4-2-5-12(8-11)21-15(25)9-23-14-7-3-6-13(14)16(22-23)17(18,19)20/h2,4-5,8H,3,6-7,9H2,1H3,(H,21,25).
What are the key properties of N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 351.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 1129764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).