[2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone

C17H19FN4O2 — CID 136661846

IUPAC[2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone
SMILESCc1nn2c(c1C(=O)N1CCOCC1)NC(c1cccc(F)c1)C2
InChIInChI=1S/C17H19FN4O2/c1-11-15(17(23)21-5-7-24-8-6-21)16-19-14(10-22(16)20-11)12-3-2-4-13(18)9-12/h2-4,9,14,19H,5-8,10H2,1H3
InChIKeyZZJKNZIXRIZOMM-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.97
Rot. Bonds2

About [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone

[2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone (PubChem CID 136661846) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone
PubChem CID136661846
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name[2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone
SMILESCc1nn2c(c1C(=O)N1CCOCC1)NC(c1cccc(F)c1)C2
InChIInChI=1S/C17H19FN4O2/c1-11-15(17(23)21-5-7-24-8-6-21)16-19-14(10-22(16)20-11)12-3-2-4-13(18)9-12/h2-4,9,14,19H,5-8,10H2,1H3
InChIKeyZZJKNZIXRIZOMM-UHFFFAOYSA-N
XLogP1.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone (CID 136661846) is [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone is Cc1nn2c(c1C(=O)N1CCOCC1)NC(c1cccc(F)c1)C2.
What is the InChIKey of [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone?
The InChIKey is ZZJKNZIXRIZOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-15(17(23)21-5-7-24-8-6-21)16-19-14(10-22(16)20-11)12-3-2-4-13(18)9-12/h2-4,9,14,19H,5-8,10H2,1H3.
What are the key properties of [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone?
[2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone has a molecular weight of 330.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-6-methyl-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 136661846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).