1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine

C15H28N4O — CID 77097114

IUPAC1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C15H28N4O/c1-15(2,3)14-11-13(16-17-14)12-19-7-5-18(6-8-19)9-10-20-4/h11H,5-10,12H2,1-4H3,(H,16,17)
InChIKeySCUJNHCWRUNQEH-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.47
Rot. Bonds5

About 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine

1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine (PubChem CID 77097114) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine
PubChem CID77097114
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCN1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1
InChIInChI=1S/C15H28N4O/c1-15(2,3)14-11-13(16-17-14)12-19-7-5-18(6-8-19)9-10-20-4/h11H,5-10,12H2,1-4H3,(H,16,17)
InChIKeySCUJNHCWRUNQEH-UHFFFAOYSA-N
XLogP1.47
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16189865
2-{1-cyclopentyl-4-[(5-isopropyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl}ethanol
CID 16190729
((5-tert-butyl-1H-pyrazol-3-yl)methyl)(methyl)amine
CID 44236865
({4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]morpholin-2-yl}methyl)amine
CID 56721872
N,2,2,6,6-Pentamethyl-N-[(5-propyl-1H-pyrazol-3-YL)methyl]piperidin-4-amine
CID 56748665
4-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-1,4-oxazepan-6-ol
CID 70727587
8-[(5-Tert-butyl-1H-pyrazol-3-YL)methyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70770274
1-(2-methoxyethyl)-4-(1H-pyrazol-5-yl)piperidine
CID 51104409
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 50968757
4-[(3-methyl-1H-pyrazol-5-yl)methyl]-3-propylmorpholine
CID 50970056
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 56705116
(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-(4,4-difluoro-1-piperidinyl)-3-pyrrolidinol
CID 56899816

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine (CID 77097114) is 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine is COCCN1CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1.
What is the InChIKey of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is SCUJNHCWRUNQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-15(2,3)14-11-13(16-17-14)12-19-7-5-18(6-8-19)9-10-20-4/h11H,5-10,12H2,1-4H3,(H,16,17).
What are the key properties of 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine?
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 280.42 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 77097114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).