2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone

C15H18N4O — CID 119400257

IUPAC2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C15H18N4O/c20-15(18-8-6-16-7-9-18)10-13-11-17-19(12-13)14-4-2-1-3-5-14/h1-5,11-12,16H,6-10H2
InChIKeyJVJROPOMMOXERS-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.85
Rot. Bonds3

About 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone

2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone (PubChem CID 119400257) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
PubChem CID119400257
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone
SMILESO=C(Cc1cnn(-c2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C15H18N4O/c20-15(18-8-6-16-7-9-18)10-13-11-17-19(12-13)14-4-2-1-3-5-14/h1-5,11-12,16H,6-10H2
InChIKeyJVJROPOMMOXERS-UHFFFAOYSA-N
XLogP0.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 16620987
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 119635103
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone
CID 87030114
2-(1-phenylpyrazol-4-yl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 18152355
ethyl 1-[2-(1-phenylpyrazol-4-yl)acetyl]piperidine-4-carboxylate
CID 31763477
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 120815129
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone
CID 128981311
4-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 79422857
2-(1-phenylpyrazol-4-yl)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166203581
1,4-diazepan-1-yl-(1-phenylpyrazol-4-yl)methanone
CID 28742263
(3S,4S)-1-[2-(1-phenylpyrazol-4-yl)acetyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951779

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone (CID 119400257) is 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone is O=C(Cc1cnn(-c2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone?
The InChIKey is JVJROPOMMOXERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(18-8-6-16-7-9-18)10-13-11-17-19(12-13)14-4-2-1-3-5-14/h1-5,11-12,16H,6-10H2.
What are the key properties of 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone?
2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone has a molecular weight of 270.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpyrazol-4-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 119400257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).