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

C21H22N4O2 — CID 118526657

IUPAC[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1cccn1
InChIInChI=1S/C21H22N4O2/c26-21(25-12-4-11-22-25)24-15-13-23(14-16-24)17-18-7-9-20(10-8-18)27-19-5-2-1-3-6-19/h1-12H,13-17H2
InChIKeyQTYFGYPPYMJMNL-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.46
Rot. Bonds4

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

[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (PubChem CID 118526657) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is [4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
PubChem CID118526657
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1cccn1
InChIInChI=1S/C21H22N4O2/c26-21(25-12-4-11-22-25)24-15-13-23(14-16-24)17-18-7-9-20(10-8-18)27-19-5-2-1-3-6-19/h1-12H,13-17H2
InChIKeyQTYFGYPPYMJMNL-UHFFFAOYSA-N
XLogP3.46
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.46
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 amide
CID 9861009
3-[4-(2,4-Difluoro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid amide
CID 9948785
3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid dimethylamide
CID 11198140
3-(4-Phenoxy-phenyl)-pyrazole-1-carboxylic acid amide
CID 11300443
(4-Methylpyrazol-1-yl)-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526454

Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (CID 118526657) is [4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is O=C(N1CCN(Cc2ccc(Oc3ccccc3)cc2)CC1)n1cccn1.
What is the InChIKey of [4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The InChIKey is QTYFGYPPYMJMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(25-12-4-11-22-25)24-15-13-23(14-16-24)17-18-7-9-20(10-8-18)27-19-5-2-1-3-6-19/h1-12H,13-17H2.
What are the key properties of [4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 118526657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).