2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid

C17H20F3N5O3 — CID 118744888

IUPAC2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)N1CCn2cc(Cn3cccn3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N5O.C2HF3O2/c21-15(8-12-2-3-12)19-7-6-18-9-13(17-14(18)11-19)10-20-5-1-4-16-20;3-2(4,5)1(6)7/h1,4-5,9,12H,2-3,6-8,10-11H2;(H,6,7)
InChIKeyFBMHBRJJYXOCAE-UHFFFAOYSA-N
MW399.37 g/mol
LogP1.90
Rot. Bonds4

About 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid

2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 118744888) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID118744888
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC Name2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(CC1CC1)N1CCn2cc(Cn3cccn3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H19N5O.C2HF3O2/c21-15(8-12-2-3-12)19-7-6-18-9-13(17-14(18)11-19)10-20-5-1-4-16-20;3-2(4,5)1(6)7/h1,4-5,9,12H,2-3,6-8,10-11H2;(H,6,7)
InChIKeyFBMHBRJJYXOCAE-UHFFFAOYSA-N
XLogP1.90
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid (CID 118744888) is 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid is O=C(CC1CC1)N1CCn2cc(Cn3cccn3)nc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is FBMHBRJJYXOCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.C2HF3O2/c21-15(8-12-2-3-12)19-7-6-18-9-13(17-14(18)11-19)10-20-5-1-4-16-20;3-2(4,5)1(6)7/h1,4-5,9,12H,2-3,6-8,10-11H2;(H,6,7).
What are the key properties of 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid?
2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 399.37 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).