1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine

C14H26N4O — CID 100735344

IUPAC1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCN(CCOCC(C)C)CC2)n[nH]1
InChIInChI=1S/C14H26N4O/c1-12(2)11-19-9-8-17-4-6-18(7-5-17)14-10-13(3)15-16-14/h10,12H,4-9,11H2,1-3H3,(H,15,16)
InChIKeyJYPDDDKQVOSKKA-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.51
Rot. Bonds6

About 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine

1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine (PubChem CID 100735344) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine
PubChem CID100735344
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine
SMILESCc1cc(N2CCN(CCOCC(C)C)CC2)n[nH]1
InChIInChI=1S/C14H26N4O/c1-12(2)11-19-9-8-17-4-6-18(7-5-17)14-10-13(3)15-16-14/h10,12H,4-9,11H2,1-3H3,(H,15,16)
InChIKeyJYPDDDKQVOSKKA-UHFFFAOYSA-N
XLogP1.51
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-1H-pyrazol-3-yl)piperazine
CID 62548256
1-(3-methyl-1H-pyrazol-5-yl)piperazine dihydrochloride
CID 126809354
N-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 71868941
1-Cyclobutyl-4-(5-methyl-1H-pyrazol-3-YL)piperazine
CID 99842589
N-[(2S)-2-cyanopropyl]-N-ethyl-4-(5-methyl-1H-pyrazol-3-yl)piperazine-1-sulfonamide
CID 100731486
4-(5-Trifluoromethyl-2H-pyrazol-3-yl)-morpholine
CID 56965584
N-[N'-(2-methylpropyl)-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]-2-morpholin-4-ylacetamide
CID 72694694
1-(2-methoxyethyl)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]hydrazine
CID 132133566
(2S)-2-[[amino-[[N'-[1-(2-methylmorpholin-4-yl)ethenyl]-N-(5-methyl-1H-pyrazol-3-yl)carbamimidoyl]amino]methylidene]amino]-N'-[(1E)-2-fluorobuta-1,3-dienyl]propanimidamide
CID 173488634
4-(5-methyl-1H-pyrazol-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-1-carboxamide
CID 100644245
1,1,1-trifluoro-3-[4-(5-methyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-2-ol
CID 154753950
4-{2-[4-(3-cyclopropyl-1H-pyrazol-5-yl)piperazin-1-yl]ethyl}-3-methylmorpholine
CID 137876403

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
The IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine (CID 100735344) is 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine is Cc1cc(N2CCN(CCOCC(C)C)CC2)n[nH]1.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
The InChIKey is JYPDDDKQVOSKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12(2)11-19-9-8-17-4-6-18(7-5-17)14-10-13(3)15-16-14/h10,12H,4-9,11H2,1-3H3,(H,15,16).
What are the key properties of 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine?
1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine has a molecular weight of 266.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethyl]-4-(5-methyl-1H-pyrazol-3-yl)piperazine is sourced from PubChem (CID 100735344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).