(5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C12H12F3N5O — CID 46959348

IUPAC(5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C12H12F3N5O/c1-7-8(4-16-18-7)11(21)20-3-2-19-5-9(12(13,14)15)17-10(19)6-20/h4-5H,2-3,6H2,1H3,(H,16,18)
InChIKeyHGXIKEAGMWBYJN-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.59
Rot. Bonds1

About (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 46959348) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID46959348
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name(5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1[nH]ncc1C(=O)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C12H12F3N5O/c1-7-8(4-16-18-7)11(21)20-3-2-19-5-9(12(13,14)15)17-10(19)6-20/h4-5H,2-3,6H2,1H3,(H,16,18)
InChIKeyHGXIKEAGMWBYJN-UHFFFAOYSA-N
XLogP1.59
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 46959348) is (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1[nH]ncc1C(=O)N1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is HGXIKEAGMWBYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-7-8(4-16-18-7)11(21)20-3-2-19-5-9(12(13,14)15)17-10(19)6-20/h4-5H,2-3,6H2,1H3,(H,16,18).
What are the key properties of (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 299.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-4-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 46959348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).