(4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone

C15H18N4O — CID 118526402

IUPAC(4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)n1cccn1
InChIInChI=1S/C15H18N4O/c20-15(19-8-4-7-16-19)18-11-9-17(10-12-18)13-14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyVDUCASWEOFMWAI-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.67
Rot. Bonds2

About (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone

(4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone (PubChem CID 118526402) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
PubChem CID118526402
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccccc2)CC1)n1cccn1
InChIInChI=1S/C15H18N4O/c20-15(19-8-4-7-16-19)18-11-9-17(10-12-18)13-14-5-2-1-3-6-14/h1-8H,9-13H2
InChIKeyVDUCASWEOFMWAI-UHFFFAOYSA-N
XLogP1.67
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone (CID 118526402) is (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone is O=C(N1CCN(Cc2ccccc2)CC1)n1cccn1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone?
The InChIKey is VDUCASWEOFMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(19-8-4-7-16-19)18-11-9-17(10-12-18)13-14-5-2-1-3-6-14/h1-8H,9-13H2.
What are the key properties of (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone?
(4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone has a molecular weight of 270.34 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 118526402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).