1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C11H10F3N5O — CID 16671982

IUPAC1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)8-5-18-3-4-19(6-9(18)16-8)10(20)7-1-2-15-17-7/h1-2,5H,3-4,6H2,(H,15,17)
InChIKeyKEJOLAYLAYCZLN-UHFFFAOYSA-N
MW285.23 g/mol
LogP1.28
Rot. Bonds1

About 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 16671982) has the molecular formula C11H10F3N5O and a molecular weight of 285.23 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID16671982
Molecular FormulaC11H10F3N5O
Molecular Weight285.23 g/mol
Exact Mass285.08
IUPAC Name1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C11H10F3N5O/c12-11(13,14)8-5-18-3-4-19(6-9(18)16-8)10(20)7-1-2-15-17-7/h1-2,5H,3-4,6H2,(H,15,17)
InChIKeyKEJOLAYLAYCZLN-UHFFFAOYSA-N
XLogP1.28
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 16671982) is 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is O=C(c1ccn[nH]1)N1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is KEJOLAYLAYCZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5O/c12-11(13,14)8-5-18-3-4-19(6-9(18)16-8)10(20)7-1-2-15-17-7/h1-2,5H,3-4,6H2,(H,15,17).
What are the key properties of 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 285.23 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 16671982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).