1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine

C19H28N4O — CID 120767460

IUPAC1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C19H28N4O/c1-19(2,3)23-14-15(11-21-23)13-22-10-9-20-12-17(22)16-7-5-6-8-18(16)24-4/h5-8,11,14,17,20H,9-10,12-13H2,1-4H3
InChIKeyZKHDWALEZPSHRK-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.79
Rot. Bonds4

About 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine

1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine (PubChem CID 120767460) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
PubChem CID120767460
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1C1CNCCN1Cc1cnn(C(C)(C)C)c1
InChIInChI=1S/C19H28N4O/c1-19(2,3)23-14-15(11-21-23)13-22-10-9-20-12-17(22)16-7-5-6-8-18(16)24-4/h5-8,11,14,17,20H,9-10,12-13H2,1-4H3
InChIKeyZKHDWALEZPSHRK-UHFFFAOYSA-N
XLogP2.79
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767459
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767304
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910252
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
CID 120753605
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911966
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine (CID 120767460) is 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine is COc1ccccc1C1CNCCN1Cc1cnn(C(C)(C)C)c1.
What is the InChIKey of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine?
The InChIKey is ZKHDWALEZPSHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-19(2,3)23-14-15(11-21-23)13-22-10-9-20-12-17(22)16-7-5-6-8-18(16)24-4/h5-8,11,14,17,20H,9-10,12-13H2,1-4H3.
What are the key properties of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine?
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine has a molecular weight of 328.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 120767460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).