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

C14H20N6O — CID 90533365

IUPAC1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C14H20N6O/c21-14(12-20-4-1-2-16-20)19-10-8-17(9-11-19)6-7-18-5-3-15-13-18/h1-5,13H,6-12H2
InChIKeyUIYVSHPKIIGFFI-UHFFFAOYSA-N
MW288.35 g/mol
LogP-0.08
Rot. Bonds5

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

1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 90533365) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID90533365
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
SMILESO=C(Cn1cccn1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C14H20N6O/c21-14(12-20-4-1-2-16-20)19-10-8-17(9-11-19)6-7-18-5-3-15-13-18/h1-5,13H,6-12H2
InChIKeyUIYVSHPKIIGFFI-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

2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 71788571
1-(4-ethylpiperazin-1-yl)-2-imidazol-1-ylethanone
CID 110849987
ethyl 2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]acetate
CID 90533491
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
1-[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 137341935
1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90533380
1-piperazin-1-yl-2-pyrazol-1-ylethanone
CID 23070038
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
(3-bromophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533249
(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533244
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 43501387

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone (CID 90533365) is 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone is O=C(Cn1cccn1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is UIYVSHPKIIGFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c21-14(12-20-4-1-2-16-20)19-10-8-17(9-11-19)6-7-18-5-3-15-13-18/h1-5,13H,6-12H2.
What are the key properties of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone?
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone 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 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 90533365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).