2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

C14H20N6O — CID 90508652

IUPAC2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C14H20N6O/c21-14(13-20-6-2-4-16-20)18-10-7-17(8-11-18)9-12-19-5-1-3-15-19/h1-6H,7-13H2
InChIKeyVIHFTFOYAIGMLV-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.08
Rot. Bonds5

About 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone

2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 90508652) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID90508652
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(Cn1cccn1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C14H20N6O/c21-14(13-20-6-2-4-16-20)18-10-7-17(8-11-18)9-12-19-5-1-3-15-19/h1-6H,7-13H2
InChIKeyVIHFTFOYAIGMLV-UHFFFAOYSA-N
XLogP-0.08
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 43501387
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-pyrazol-1-ylethanone
CID 80707191
(E)-3-phenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 90508586
4-ethyl-1-(2-pyrazol-1-ylacetyl)piperidine-4-carboxylic acid
CID 63125421
2,2-diphenyl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508606
N-phenyl-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 121094912
1-(4-propanoylpiperazin-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 71934218
1-(3-hydroxyazetidin-1-yl)-2-pyrazol-1-ylethanone
CID 63106745
1-piperidin-1-yl-3-pyrazol-1-ylpropan-1-one
CID 176931568
5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90508533

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone (CID 90508652) is 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is O=C(Cn1cccn1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is VIHFTFOYAIGMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c21-14(13-20-6-2-4-16-20)18-10-7-17(8-11-18)9-12-19-5-1-3-15-19/h1-6H,7-13H2.
What are the key properties of 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone?
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 288.35 g/mol, XLogP of -0.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90508652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).