[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone

C22H24N4O2 — CID 123487724

IUPAC[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)n1cccn1
InChIInChI=1S/C22H24N4O2/c27-22(26-11-5-10-23-26)25-14-12-24(13-15-25)17-20-8-4-9-21(16-20)28-18-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2
InChIKeyYXVPWDFAIBUUPC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.25
Rot. Bonds5

About [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone

[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (PubChem CID 123487724) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
PubChem CID123487724
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)n1cccn1
InChIInChI=1S/C22H24N4O2/c27-22(26-11-5-10-23-26)25-14-12-24(13-15-25)17-20-8-4-9-21(16-20)28-18-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2
InChIKeyYXVPWDFAIBUUPC-UHFFFAOYSA-N
XLogP3.25
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-Phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 92135986
1-[4-[(3-Phenylmethoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]pyrazole-4-carbonitrile
CID 118526532
1-[4-[(4-Phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526583
1-[4-[(3-Phenoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]pyrazole-4-carbonitrile
CID 118526672
1-[4-[(3-Phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 118526941
1-[4-[(4-Phenoxyphenyl)methyl]-1,4-diazepane-1-carbonyl]pyrazole-4-carbonitrile
CID 118526967
1-[4-[(3-Phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazole-4-carbonitrile
CID 155560740
3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid dimethylamide
CID 11198140
(4-Methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526454
(4-Methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526605
[4-[(4-Phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
CID 118526625
(4-Methylpyrazol-1-yl)-[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526627

Frequently Asked Questions

What is the IUPAC name of [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (CID 123487724) is [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is O=C(N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1)n1cccn1.
What is the InChIKey of [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The InChIKey is YXVPWDFAIBUUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(26-11-5-10-23-26)25-14-12-24(13-15-25)17-20-8-4-9-21(16-20)28-18-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2.
What are the key properties of [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 123487724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).