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

C29H27FN4O2 — CID 55678885

IUPAC2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C29H27FN4O2/c30-25-12-8-22(9-13-25)20-28(35)32-16-18-33(19-17-32)29(36)27-5-2-1-4-26(27)24-10-6-23(7-11-24)21-34-15-3-14-31-34/h1-15H,16-21H2
InChIKeyZOGWGIJRMDBTOW-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.26
Rot. Bonds6

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

2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone (PubChem CID 55678885) has the molecular formula C29H27FN4O2 and a molecular weight of 482.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
PubChem CID55678885
Molecular FormulaC29H27FN4O2
Molecular Weight482.56 g/mol
Exact Mass482.21
IUPAC Name2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)CC1
InChIInChI=1S/C29H27FN4O2/c30-25-12-8-22(9-13-25)20-28(35)32-16-18-33(19-17-32)29(36)27-5-2-1-4-26(27)24-10-6-23(7-11-24)21-34-15-3-14-31-34/h1-15H,16-21H2
InChIKeyZOGWGIJRMDBTOW-UHFFFAOYSA-N
XLogP4.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone
CID 46633048
2-(4-fluorophenyl)-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 108533899
2-(4-fluorophenyl)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 35371198
[2-(4-fluorophenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 134955966
1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-4-carboxamide
CID 55535835
ethyl 1-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperidine-3-carboxylate
CID 42942112
[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
1-[4-(1-benzylindole-3-carbonyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 55678779
[2-[2-(4-benzylpiperazine-1-carbonyl)phenyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 4035755
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 37216571

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone (CID 55678885) is 2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone is O=C(Cc1ccc(F)cc1)N1CCN(C(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is ZOGWGIJRMDBTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O2/c30-25-12-8-22(9-13-25)20-28(35)32-16-18-33(19-17-32)29(36)27-5-2-1-4-26(27)24-10-6-23(7-11-24)21-34-15-3-14-31-34/h1-15H,16-21H2.
What are the key properties of 2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 482.56 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[2-[4-(pyrazol-1-ylmethyl)phenyl]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55678885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).