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

C17H20F3N5O3 — CID 154847345

IUPAC5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CC2CCCN2C(=O)c2cc(C(F)(F)F)nn2C2CC2)NC(=O)NC1=O
InChIInChI=1S/C17H20F3N5O3/c1-16(14(27)21-15(28)22-16)8-10-3-2-6-24(10)13(26)11-7-12(17(18,19)20)23-25(11)9-4-5-9/h7,9-10H,2-6,8H2,1H3,(H2,21,22,27,28)
InChIKeyXPWDGLKGHJNZKK-UHFFFAOYSA-N
MW399.37 g/mol
LogP1.83
Rot. Bonds4

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

5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 154847345) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is 5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID154847345
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC Name5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(CC2CCCN2C(=O)c2cc(C(F)(F)F)nn2C2CC2)NC(=O)NC1=O
InChIInChI=1S/C17H20F3N5O3/c1-16(14(27)21-15(28)22-16)8-10-3-2-6-24(10)13(26)11-7-12(17(18,19)20)23-25(11)9-4-5-9/h7,9-10H,2-6,8H2,1H3,(H2,21,22,27,28)
InChIKeyXPWDGLKGHJNZKK-UHFFFAOYSA-N
XLogP1.83
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 172419139
1-ethyl-8-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70767372
N-[[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126736661
N-[[8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126736663
1-ethyl-N-{[(2S,4S)-4-fluoro-2-pyrrolidinyl]methyl}-3-isobutyl-1H-pyrazole-5-carboxamide
CID 72871406
N-[(3R,4S)-1-(2-amino-2-oxoethyl)-4-cyclopropylpyrrolidin-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 72905183
N-((3R*,4S*)-4-cyclopropyl-1-{[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-3-pyrrolidinyl)acetamide
CID 72910631
1-methyl-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 118782562
(2S,4R)-1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)-4-fluoropyrrolidine-2-carboxamide
CID 120965474
N-[(3R*,4S*)-1-(2-amino-2-oxoethyl)-4-cyclopropyl-3-pyrrolidinyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 133119390
N-[(3S,4R)-4-cyclopropyl-1-[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-3-yl]acetamide
CID 133125704
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 138035237

Frequently Asked Questions

What is the IUPAC name of 5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 154847345) is 5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione is CC1(CC2CCCN2C(=O)c2cc(C(F)(F)F)nn2C2CC2)NC(=O)NC1=O.
What is the InChIKey of 5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is XPWDGLKGHJNZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O3/c1-16(14(27)21-15(28)22-16)8-10-3-2-6-24(10)13(26)11-7-12(17(18,19)20)23-25(11)9-4-5-9/h7,9-10H,2-6,8H2,1H3,(H2,21,22,27,28).
What are the key properties of 5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 399.37 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[1-cyclopropyl-3-(trifluoromethyl)pyrazole-5-carbonyl]pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 154847345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).