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

C22H24N4O2 — CID 118526625

IUPAC[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1
InChIInChI=1S/C22H24N4O2/c27-22(26-12-4-11-23-26)25-15-13-24(14-16-25)17-19-7-9-21(10-8-19)28-18-20-5-2-1-3-6-20/h1-12H,13-18H2
InChIKeyIDKIWSBAUWXKAS-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.25
Rot. Bonds5

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

[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (PubChem CID 118526625) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
PubChem CID118526625
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone
SMILESO=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1
InChIInChI=1S/C22H24N4O2/c27-22(26-12-4-11-23-26)25-15-13-24(14-16-25)17-19-7-9-21(10-8-19)28-18-20-5-2-1-3-6-20/h1-12H,13-18H2
InChIKeyIDKIWSBAUWXKAS-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

4-((5-(2-Oxo-3-(Pyridin-4-Yl)imidazolidin-1-Yl)pentyl)oxy)benzaldehyde O-Ethyl Oxime
CID 10250152
1-[5-[4-(2-Ethyltetrazol-5-yl)phenoxy]-3-methyl-pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278489
1-[5-[4-[(Z)-ethoxyiminomethyl]phenoxy]pentyl]-3-pyridin-4-ylimidazolidin-2-one
CID 58934084
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
1-[3-Methyl-5-[4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
CID 5278488
3-[4-(4-Fluoro-phenoxy)-phenyl]-pyrazole-1-carboxylic acid amide
CID 9861009

Frequently Asked Questions

What is the IUPAC name of [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone (CID 118526625) is [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is O=C(N1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1)n1cccn1.
What is the InChIKey of [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
The InChIKey is IDKIWSBAUWXKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(26-12-4-11-23-26)25-15-13-24(14-16-25)17-19-7-9-21(10-8-19)28-18-20-5-2-1-3-6-20/h1-12H,13-18H2.
What are the key properties of [4-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone?
[4-[(4-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-[(4-phenylmethoxyphenyl)methyl]piperazin-1-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 118526625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).