tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid

C15H20F3N5O4 — CID 175802042

IUPACtert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid
SMILESCc1c([C@]2(CN(C(=O)O)C(C)(C)C)NC(=O)NC2=O)cnn1CC(F)(F)F
InChIInChI=1S/C15H20F3N5O4/c1-8-9(5-19-23(8)7-15(16,17)18)14(10(24)20-11(25)21-14)6-22(12(26)27)13(2,3)4/h5H,6-7H2,1-4H3,(H,26,27)(H2,20,21,24,25)/t14-/m0/s1
InChIKeyIYURHEOUYJNYBY-AWEZNQCLSA-N
MW391.35 g/mol
LogP1.57
Rot. Bonds4

About tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid

tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid (PubChem CID 175802042) has the molecular formula C15H20F3N5O4 and a molecular weight of 391.35 g/mol. Its IUPAC name is tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid
PubChem CID175802042
Molecular FormulaC15H20F3N5O4
Molecular Weight391.35 g/mol
Exact Mass391.15
IUPAC Nametert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid
SMILESCc1c([C@]2(CN(C(=O)O)C(C)(C)C)NC(=O)NC2=O)cnn1CC(F)(F)F
InChIInChI=1S/C15H20F3N5O4/c1-8-9(5-19-23(8)7-15(16,17)18)14(10(24)20-11(25)21-14)6-22(12(26)27)13(2,3)4/h5H,6-7H2,1-4H3,(H,26,27)(H2,20,21,24,25)/t14-/m0/s1
InChIKeyIYURHEOUYJNYBY-AWEZNQCLSA-N
XLogP1.57
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid?
The IUPAC name of tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid (CID 175802042) is tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid.
What is the SMILES notation for tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid?
The canonical SMILES for tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid is Cc1c([C@]2(CN(C(=O)O)C(C)(C)C)NC(=O)NC2=O)cnn1CC(F)(F)F.
What is the InChIKey of tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid?
The InChIKey is IYURHEOUYJNYBY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20F3N5O4/c1-8-9(5-19-23(8)7-15(16,17)18)14(10(24)20-11(25)21-14)6-22(12(26)27)13(2,3)4/h5H,6-7H2,1-4H3,(H,26,27)(H2,20,21,24,25)/t14-/m0/s1.
What are the key properties of tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid?
tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid has a molecular weight of 391.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4R)-4-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]methyl]carbamic acid is sourced from PubChem (CID 175802042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).