1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone

C14H20F3N3O — CID 144862607

IUPAC1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCCCCc1cc(C(F)(F)F)nn1C1CCN(C(C)=O)C1
InChIInChI=1S/C14H20F3N3O/c1-3-4-5-11-8-13(14(15,16)17)18-20(11)12-6-7-19(9-12)10(2)21/h8,12H,3-7,9H2,1-2H3
InChIKeyFSXFPOFPWYQXMG-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.04
Rot. Bonds4

About 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone

1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone (PubChem CID 144862607) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
PubChem CID144862607
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC Name1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
SMILESCCCCc1cc(C(F)(F)F)nn1C1CCN(C(C)=O)C1
InChIInChI=1S/C14H20F3N3O/c1-3-4-5-11-8-13(14(15,16)17)18-20(11)12-6-7-19(9-12)10(2)21/h8,12H,3-7,9H2,1-2H3
InChIKeyFSXFPOFPWYQXMG-UHFFFAOYSA-N
XLogP3.04
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 841522
2-(5-Cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl)-1-(1-pyrrolidinyl)ethanone
CID 892173
N-cycloheptyl-2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetamide
CID 1224578
1-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}-3,5-dimethyl-1H-pyrazole
CID 844732
2-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 891733
5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
1-(2-Methylpiperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
CID 649724
N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 749632
2-[5-Methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 2256952
N-(2-cyanoethyl)-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-methylacetamide
CID 53623355
1-(4-Acetylpiperazin-1-yl)-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 53623706
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 53626948

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone (CID 144862607) is 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone is CCCCc1cc(C(F)(F)F)nn1C1CCN(C(C)=O)C1.
What is the InChIKey of 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is FSXFPOFPWYQXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-3-4-5-11-8-13(14(15,16)17)18-20(11)12-6-7-19(9-12)10(2)21/h8,12H,3-7,9H2,1-2H3.
What are the key properties of 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone?
1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 303.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-butyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 144862607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).