1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol

C15H28N4O2 — CID 71272617

IUPAC1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol
SMILESCCCCCn1ccc(OCC(O)CN2CCNCC2)n1
InChIInChI=1S/C15H28N4O2/c1-2-3-4-8-19-9-5-15(17-19)21-13-14(20)12-18-10-6-16-7-11-18/h5,9,14,16,20H,2-4,6-8,10-13H2,1H3
InChIKeyQDMQULHHZVOJQS-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.72
Rot. Bonds9

About 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol

1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol (PubChem CID 71272617) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol
PubChem CID71272617
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol
SMILESCCCCCn1ccc(OCC(O)CN2CCNCC2)n1
InChIInChI=1S/C15H28N4O2/c1-2-3-4-8-19-9-5-15(17-19)21-13-14(20)12-18-10-6-16-7-11-18/h5,9,14,16,20H,2-4,6-8,10-13H2,1H3
InChIKeyQDMQULHHZVOJQS-UHFFFAOYSA-N
XLogP0.72
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-piperazin-1-yl-3-(4-propoxyphenoxy)propan-2-ol
CID 65449830
1-piperazin-1-ylheptan-2-ol
CID 70501156
1-(3-methylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 3095128
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-(4-chloro-3-ethylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 65448136
1-[4-[2-(4-butoxy-3-methylphenyl)propan-2-yl]phenoxy]-3-piperazin-1-ylpropan-2-ol;ethane
CID 145119518
1-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-piperazin-1-ylpropan-2-ol
CID 104603692
1-(1,4-diazepan-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 19005868
1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65449253
(2R)-1-(1,4-diazepan-1-yl)-3-(3,5-dimethylphenoxy)propan-2-ol
CID 95067042
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
(2R)-1-(1,4-diazepan-1-yl)-3-(3-methylphenoxy)propan-2-ol
CID 95067056

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol?
The IUPAC name of 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol (CID 71272617) is 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol?
The canonical SMILES for 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol is CCCCCn1ccc(OCC(O)CN2CCNCC2)n1.
What is the InChIKey of 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol?
The InChIKey is QDMQULHHZVOJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-2-3-4-8-19-9-5-15(17-19)21-13-14(20)12-18-10-6-16-7-11-18/h5,9,14,16,20H,2-4,6-8,10-13H2,1H3.
What are the key properties of 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol?
1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 0.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentylpyrazol-3-yl)oxy-3-piperazin-1-ylpropan-2-ol is sourced from PubChem (CID 71272617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).