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

C16H15F4N3O — CID 648382

IUPACN-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(F)cc1
InChIInChI=1S/C16H15F4N3O/c17-11-6-4-10(5-7-11)8-21-14(24)9-23-13-3-1-2-12(13)15(22-23)16(18,19)20/h4-7H,1-3,8-9H2,(H,21,24)
InChIKeyYWNGFVXNLDCJNT-UHFFFAOYSA-N
MW341.31 g/mol
LogP2.85
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 648382) has the molecular formula C16H15F4N3O and a molecular weight of 341.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID648382
Molecular FormulaC16H15F4N3O
Molecular Weight341.31 g/mol
Exact Mass341.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(F)cc1
InChIInChI=1S/C16H15F4N3O/c17-11-6-4-10(5-7-11)8-21-14(24)9-23-13-3-1-2-12(13)15(22-23)16(18,19)20/h4-7H,1-3,8-9H2,(H,21,24)
InChIKeyYWNGFVXNLDCJNT-UHFFFAOYSA-N
XLogP2.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 648382) is N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is YWNGFVXNLDCJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N3O/c17-11-6-4-10(5-7-11)8-21-14(24)9-23-13-3-1-2-12(13)15(22-23)16(18,19)20/h4-7H,1-3,8-9H2,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 341.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 648382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).