tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

C15H22F3N5O3 — CID 76849817

IUPACtert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCN(C)C(=O)Nc1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H22F3N5O3/c1-14(2,3)26-13(25)22-6-7-23-9(8-22)10(20-12(24)21(4)5)19-11(23)15(16,17)18/h6-8H2,1-5H3,(H,20,24)
InChIKeyDVELVPCFNWOXHX-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.75
Rot. Bonds1

About tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate

tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (PubChem CID 76849817) has the molecular formula C15H22F3N5O3 and a molecular weight of 377.37 g/mol. Its IUPAC name is tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
PubChem CID76849817
Molecular FormulaC15H22F3N5O3
Molecular Weight377.37 g/mol
Exact Mass377.17
IUPAC Nametert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
SMILESCN(C)C(=O)Nc1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C15H22F3N5O3/c1-14(2,3)26-13(25)22-6-7-23-9(8-22)10(20-12(24)21(4)5)19-11(23)15(16,17)18/h6-8H2,1-5H3,(H,20,24)
InChIKeyDVELVPCFNWOXHX-UHFFFAOYSA-N
XLogP2.75
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate with MolForge

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Related Compounds

tert-butyl 1-bromo-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo(1,5-a)pyrazine-7-carboxylate
CID 57518451
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 57518450
Acetamide,n-methyl-n-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76848928
Formamide,n-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76849414
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-(acetylamino)-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849813
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,1-(formylamino)-5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849815
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-1-(4-morpholinyl)-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 76849821
Urea,n,n-dimethyl-n'-[5,6,7,8-tetrahydro-3-(trifluoromethyl)imidazo[1,5-a]pyrazin-1-yl]-
CID 76850573
CID 89028157
CID 89028157
CID 89121949
CID 89121949
tert-butyl 1-(2-oxopyrrolidin-1-yl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 141185784
N-methyl-N-[3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]acetamide;hydrochloride
CID 141185786

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate (CID 76849817) is tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is CN(C)C(=O)Nc1nc(C(F)(F)F)n2c1CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
The InChIKey is DVELVPCFNWOXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O3/c1-14(2,3)26-13(25)22-6-7-23-9(8-22)10(20-12(24)21(4)5)19-11(23)15(16,17)18/h6-8H2,1-5H3,(H,20,24).
What are the key properties of tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate?
tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate has a molecular weight of 377.37 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(dimethylcarbamoylamino)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate is sourced from PubChem (CID 76849817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).