1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one

C19H26N4O2 — CID 70781977

IUPAC1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(CCOc2ccccc2)CC1)n1cccn1
InChIInChI=1S/C19H26N4O2/c1-2-18(23-10-6-9-20-23)19(24)22-13-11-21(12-14-22)15-16-25-17-7-4-3-5-8-17/h3-10,18H,2,11-16H2,1H3
InChIKeyQODIICAZODXSBV-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.06
Rot. Bonds7

About 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one

1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (PubChem CID 70781977) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
PubChem CID70781977
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(CCOc2ccccc2)CC1)n1cccn1
InChIInChI=1S/C19H26N4O2/c1-2-18(23-10-6-9-20-23)19(24)22-13-11-21(12-14-22)15-16-25-17-7-4-3-5-8-17/h3-10,18H,2,11-16H2,1H3
InChIKeyQODIICAZODXSBV-UHFFFAOYSA-N
XLogP2.06
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 72842623
1-(4-phenyl-1,4-diazepan-1-yl)-2-pyrazol-1-ylbutan-1-one
CID 70733476
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70763536
1-[4-[2-(1-methylimidazol-2-yl)ethyl]-1,4-diazepan-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 134697138
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 97154552
1-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
CID 70724830
[4-(2-phenoxyethyl)piperazin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 72839480
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
(2S)-1-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]-2-phenyl-2-pyrazol-1-ylethanone
CID 94806182
6-[4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 97151006
4-(2-phenoxyethyl)-N-[(1S)-1-pyridin-4-ylpropyl]piperazine-1-carboxamide
CID 124608403
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (CID 70781977) is 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is CCC(C(=O)N1CCN(CCOc2ccccc2)CC1)n1cccn1.
What is the InChIKey of 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The InChIKey is QODIICAZODXSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-18(23-10-6-9-20-23)19(24)22-13-11-21(12-14-22)15-16-25-17-7-4-3-5-8-17/h3-10,18H,2,11-16H2,1H3.
What are the key properties of 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-phenoxyethyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 70781977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).