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

C12H16F3N3O — CID 3136371

IUPACN-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C12H16F3N3O/c1-2-6-16-10(19)7-18-9-5-3-4-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19)
InChIKeyPWCLNUBXSVGDHM-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.92
Rot. Bonds4

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

N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (PubChem CID 3136371) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
PubChem CID3136371
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
SMILESCCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
InChIInChI=1S/C12H16F3N3O/c1-2-6-16-10(19)7-18-9-5-3-4-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19)
InChIKeyPWCLNUBXSVGDHM-UHFFFAOYSA-N
XLogP1.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The IUPAC name of N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide (CID 3136371) is N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The canonical SMILES for N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is CCCNC(=O)Cn1nc(C(F)(F)F)c2c1CCC2.
What is the InChIKey of N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
The InChIKey is PWCLNUBXSVGDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-2-6-16-10(19)7-18-9-5-3-4-8(9)11(17-18)12(13,14)15/h2-7H2,1H3,(H,16,19).
What are the key properties of N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide?
N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide has a molecular weight of 275.27 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide is sourced from PubChem (CID 3136371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).