1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone

C22H24N4O — CID 16620987

IUPAC1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(15-20-16-23-26(18-20)21-9-5-2-6-10-21)25-13-11-24(12-14-25)17-19-7-3-1-4-8-19/h1-10,16,18H,11-15,17H2
InChIKeyBWUYQNFHKFIPSE-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.76
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone

1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone (PubChem CID 16620987) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
PubChem CID16620987
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(15-20-16-23-26(18-20)21-9-5-2-6-10-21)25-13-11-24(12-14-25)17-19-7-3-1-4-8-19/h1-10,16,18H,11-15,17H2
InChIKeyBWUYQNFHKFIPSE-UHFFFAOYSA-N
XLogP2.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
CID 119400257
2-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]acetic acid
CID 119135361
2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 18152355
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone
CID 87030114
2-phenylmethoxy-1-[4-[(1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 86955131
(1-phenylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226792
3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate
CID 31763477
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 119635103
1-(4-benzylpiperazin-1-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768949

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone (CID 16620987) is 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone is O=C(Cc1cnn(-c2ccccc2)c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone?
The InChIKey is BWUYQNFHKFIPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(15-20-16-23-26(18-20)21-9-5-2-6-10-21)25-13-11-24(12-14-25)17-19-7-3-1-4-8-19/h1-10,16,18H,11-15,17H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone?
1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone has a molecular weight of 360.46 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone is sourced from PubChem (CID 16620987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).