1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone

C23H24N4O2 — CID 46633048

IUPAC1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C23H24N4O2/c1-18(28)25-13-15-26(16-14-25)23(29)22-6-3-2-5-21(22)20-9-7-19(8-10-20)17-27-12-4-11-24-27/h2-12H,13-17H2,1H3
InChIKeySQLBPVIAYBRQQE-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.90
Rot. Bonds4

About 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone

1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone (PubChem CID 46633048) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
PubChem CID46633048
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C23H24N4O2/c1-18(28)25-13-15-26(16-14-25)23(29)22-6-3-2-5-21(22)20-9-7-19(8-10-20)17-27-12-4-11-24-27/h2-12H,13-17H2,1H3
InChIKeySQLBPVIAYBRQQE-UHFFFAOYSA-N
XLogP2.90
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 55678885
ethyl 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-3-carboxylate
CID 42942112
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide
CID 55535835
[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56579197
N-pentan-3-yl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24681023
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 39948127
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 37216571
N-(4-methylsulfanylphenyl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 46633143
(4-propylpiperazin-1-yl)-[4-(pyrazol-1-ylmethyl)phenyl]methanone
CID 39855099
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24684483
N-(5-methyl-1,3-thiazol-2-yl)-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 24630691

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone (CID 46633048) is 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)CC1.
What is the InChIKey of 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is SQLBPVIAYBRQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-18(28)25-13-15-26(16-14-25)23(29)22-6-3-2-5-21(22)20-9-7-19(8-10-20)17-27-12-4-11-24-27/h2-12H,13-17H2,1H3.
What are the key properties of 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone?
1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 388.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 46633048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).