1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone

C13H16F3N3O — CID 1129753

IUPAC1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)12-9-4-3-5-10(9)19(17-12)8-11(20)18-6-1-2-7-18/h1-8H2
InChIKeyWPJZAXVQZLJMEK-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.01
Rot. Bonds2

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

1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (PubChem CID 1129753) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
PubChem CID1129753
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)12-9-4-3-5-10(9)19(17-12)8-11(20)18-6-1-2-7-18/h1-8H2
InChIKeyWPJZAXVQZLJMEK-UHFFFAOYSA-N
XLogP2.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
CID 892173
N-propyl-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 3136371
N-butan-2-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]acetamide
CID 3136372
N-Isopropyl-2-(3-trifluoromethyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-acetamide
CID 1129760
N-cyclohexyl-2-(3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
CID 647534
N-cyclopentyl-2-(3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
CID 798523
N-cyclohexyl-N-methyl-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 1129754
1-(4-Acetylpiperazin-1-yl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 72043904
N-cyclopentyl-N-((1-methyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-yl)methyl)cyclopropanecarboxamide
CID 86266569
N-tert-butyl-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 798540
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 1129743
N-butyl-2-(3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)acetamide
CID 3136373

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone (CID 1129753) is 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is O=C(Cn1nc(C(F)(F)F)c2c1CCC2)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
The InChIKey is WPJZAXVQZLJMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)12-9-4-3-5-10(9)19(17-12)8-11(20)18-6-1-2-7-18/h1-8H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone?
1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone has a molecular weight of 287.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone is sourced from PubChem (CID 1129753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).