N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide

C16H13F3N4O — CID 134794732

IUPACN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESCN(C)C(=O)c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12
InChIInChI=1S/C16H13F3N4O/c1-22(2)15(24)14-21-13(12-9-20-6-7-23(12)14)10-4-3-5-11(8-10)16(17,18)19/h3-9H,1-2H3
InChIKeyLZHJKWRYGWMJEF-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.12
Rot. Bonds2

About N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide

N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134794732) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134794732
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC NameN,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESCN(C)C(=O)c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12
InChIInChI=1S/C16H13F3N4O/c1-22(2)15(24)14-21-13(12-9-20-6-7-23(12)14)10-4-3-5-11(8-10)16(17,18)19/h3-9H,1-2H3
InChIKeyLZHJKWRYGWMJEF-UHFFFAOYSA-N
XLogP3.12
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide
CID 134793823
N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-3-carboxamide
CID 134791991
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-3-yl]methanone
CID 134794746
N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799176
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707
1-[3-[5-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)-1,2-oxazol-3-yl]phenyl]imidazo[1,5-a]pyrazine-3-carboxylic acid
CID 170350985
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 63616784
N,N-dimethyl-2-phenyl-4-[3-(trifluoromethyl)phenyl]sulfanylpyrimidine-5-carboxamide
CID 1489984
N-(4-pyridin-3-ylpyrimidin-2-yl)-3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
CID 46224452
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N,N-dimethylimidazole-4-carboxamide
CID 46081531
(E)-4-(dimethylamino)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]oxazol-5-yl]but-2-en-1-one
CID 162582437

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide (CID 134794732) is N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide is CN(C)C(=O)c1nc(-c2cccc(C(F)(F)F)c2)c2cnccn12.
What is the InChIKey of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is LZHJKWRYGWMJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-22(2)15(24)14-21-13(12-9-20-6-7-23(12)14)10-4-3-5-11(8-10)16(17,18)19/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide?
N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 334.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134794732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).