1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone

C22H21ClN4O2 — CID 55770613

IUPAC1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C22H21ClN4O2/c1-16(28)17-2-6-20(7-3-17)25-10-12-26(13-11-25)22(29)18-14-24-27(15-18)21-8-4-19(23)5-9-21/h2-9,14-15H,10-13H2,1H3
InChIKeyDAQYOFREYVMGOC-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.69
Rot. Bonds4

About 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone

1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone (PubChem CID 55770613) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
PubChem CID55770613
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C22H21ClN4O2/c1-16(28)17-2-6-20(7-3-17)25-10-12-26(13-11-25)22(29)18-14-24-27(15-18)21-8-4-19(23)5-9-21/h2-9,14-15H,10-13H2,1H3
InChIKeyDAQYOFREYVMGOC-UHFFFAOYSA-N
XLogP3.69
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 46489017
2-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890840
[1-(4-chlorophenyl)pyrazol-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545737
(3S)-1-[1-(4-chlorophenyl)pyrazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 125149094
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2994878
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[1-(4-chlorophenyl)pyrazol-4-yl]methanone
CID 129403659
[1-(4-chlorophenyl)pyrazol-4-yl]-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 60508626
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one
CID 27674642
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[1-(4-nitrophenyl)pyrazol-4-yl]methanone
CID 55699983
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754507

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone (CID 55770613) is 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone is CC(=O)c1ccc(N2CCN(C(=O)c3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1.
What is the InChIKey of 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
The InChIKey is DAQYOFREYVMGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-16(28)17-2-6-20(7-3-17)25-10-12-26(13-11-25)22(29)18-14-24-27(15-18)21-8-4-19(23)5-9-21/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone?
1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone has a molecular weight of 408.89 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone is sourced from PubChem (CID 55770613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).