5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine

C16H30N4 — CID 64843375

IUPAC5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C(C)(C)C)CN1Cc1cnn(C)c1
InChIInChI=1S/C16H30N4/c1-6-7-14-9-17-15(16(2,3)4)12-20(14)11-13-8-18-19(5)10-13/h8,10,14-15,17H,6-7,9,11-12H2,1-5H3
InChIKeyGAPYWZPNRYCAOK-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.41
Rot. Bonds4

About 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine

5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine (PubChem CID 64843375) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine
PubChem CID64843375
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine
SMILESCCCC1CNC(C(C)(C)C)CN1Cc1cnn(C)c1
InChIInChI=1S/C16H30N4/c1-6-7-14-9-17-15(16(2,3)4)12-20(14)11-13-8-18-19(5)10-13/h8,10,14-15,17H,6-7,9,11-12H2,1-5H3
InChIKeyGAPYWZPNRYCAOK-UHFFFAOYSA-N
XLogP2.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]-2-propylpiperazine
CID 107055655
5-tert-butyl-1-[(4-iodophenyl)methyl]-2-propylpiperazine
CID 65489981
5-[(5-tert-butyl-2-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644892
5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64841244
2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64842153
2-tert-butyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-5-propylpiperazine
CID 103016292
5-tert-butyl-1-[(2-methylphenyl)methyl]-2-propylpiperazine
CID 64841050
5-tert-butyl-1-[(6-methyl-2-pyridinyl)methyl]-2-propylpiperazine
CID 79263896
4-[(1-methylpyrazol-4-yl)methyl]-3-propyl-1,4-diazaspiro[5.5]undecane
CID 64876848
5-tert-butyl-1-(2-methylpropyl)-2-propylpiperazine
CID 64841242
5-tert-butyl-1-(4-methylpentyl)-2-propylpiperazine
CID 83169228
2-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-5-propylpiperazine
CID 64846772

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine?
The IUPAC name of 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine (CID 64843375) is 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine is CCCC1CNC(C(C)(C)C)CN1Cc1cnn(C)c1.
What is the InChIKey of 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine?
The InChIKey is GAPYWZPNRYCAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-7-14-9-17-15(16(2,3)4)12-20(14)11-13-8-18-19(5)10-13/h8,10,14-15,17H,6-7,9,11-12H2,1-5H3.
What are the key properties of 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine?
5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine has a molecular weight of 278.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(1-methylpyrazol-4-yl)methyl]-2-propylpiperazine is sourced from PubChem (CID 64843375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).