3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione

C16H18F3N5O3 — CID 154847356

IUPAC3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCC(CN2C(=O)CNC2=O)C1
InChIInChI=1S/C16H18F3N5O3/c17-16(18,19)12-5-11(24(21-12)10-1-2-10)14(26)22-4-3-9(7-22)8-23-13(25)6-20-15(23)27/h5,9-10H,1-4,6-8H2,(H,20,27)
InChIKeyUPOTUJPIEIKABQ-UHFFFAOYSA-N
MW385.35 g/mol
LogP1.25
Rot. Bonds4

About 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione

3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione (PubChem CID 154847356) has the molecular formula C16H18F3N5O3 and a molecular weight of 385.35 g/mol. Its IUPAC name is 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione
PubChem CID154847356
Molecular FormulaC16H18F3N5O3
Molecular Weight385.35 g/mol
Exact Mass385.14
IUPAC Name3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione
SMILESO=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCC(CN2C(=O)CNC2=O)C1
InChIInChI=1S/C16H18F3N5O3/c17-16(18,19)12-5-11(24(21-12)10-1-2-10)14(26)22-4-3-9(7-22)8-23-13(25)6-20-15(23)27/h5,9-10H,1-4,6-8H2,(H,20,27)
InChIKeyUPOTUJPIEIKABQ-UHFFFAOYSA-N
XLogP1.25
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-3-methylpiperidine-4-carboxylic acid
CID 154848078
[(1S,5R)-1,5-bis(hydroxymethyl)-3-azabicyclo[3.2.0]heptan-3-yl]-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 154847298
11-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-8,11-diazatricyclo[4.3.3.01,6]dodecane-7,9-dione
CID 167768682
N-[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidin-3-yl]methanesulfonamide
CID 154847395
N-cyclopropyl-1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]azetidine-3-sulfonamide
CID 154847412
3-[[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]-methylamino]propanoic acid
CID 154848071
ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]ethanone
CID 144862608
2-[1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881629
2-[(3R)-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136763979
[4-(trifluoromethyl)phenyl]-[(3R)-3-[[(3R,5R)-3,4,5-trihydroxypiperidin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 157039233
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 51586958
[3-(2-chloroethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 114801098

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione (CID 154847356) is 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione is O=C(c1cc(C(F)(F)F)nn1C1CC1)N1CCC(CN2C(=O)CNC2=O)C1.
What is the InChIKey of 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is UPOTUJPIEIKABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3/c17-16(18,19)12-5-11(24(21-12)10-1-2-10)14(26)22-4-3-9(7-22)8-23-13(25)6-20-15(23)27/h5,9-10H,1-4,6-8H2,(H,20,27).
What are the key properties of 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione?
3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 385.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 154847356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).