(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone

C16H25N5O2 — CID 50972361

IUPAC(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone
SMILESCCCOCCN1CCN(C(=O)c2cnn3ccn(C)c23)CC1
InChIInChI=1S/C16H25N5O2/c1-3-11-23-12-10-19-5-7-20(8-6-19)16(22)14-13-17-21-9-4-18(2)15(14)21/h4,9,13H,3,5-8,10-12H2,1-2H3
InChIKeyHLZBMUZFJHKSKV-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.86
Rot. Bonds6

About (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone

(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone (PubChem CID 50972361) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone
PubChem CID50972361
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone
SMILESCCCOCCN1CCN(C(=O)c2cnn3ccn(C)c23)CC1
InChIInChI=1S/C16H25N5O2/c1-3-11-23-12-10-19-5-7-20(8-6-19)16(22)14-13-17-21-9-4-18(2)15(14)21/h4,9,13H,3,5-8,10-12H2,1-2H3
InChIKeyHLZBMUZFJHKSKV-UHFFFAOYSA-N
XLogP0.86
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone (CID 50972361) is (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone is CCCOCCN1CCN(C(=O)c2cnn3ccn(C)c23)CC1.
What is the InChIKey of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone?
The InChIKey is HLZBMUZFJHKSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-3-11-23-12-10-19-5-7-20(8-6-19)16(22)14-13-17-21-9-4-18(2)15(14)21/h4,9,13H,3,5-8,10-12H2,1-2H3.
What are the key properties of (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone?
(1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone has a molecular weight of 319.41 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazo[2,1-e]pyrazol-7-yl)-[4-(2-propoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 50972361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).