1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine

C20H30N4 — CID 141134716

IUPAC1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCc2ccc(-n3ccc(C(C)(C)C)n3)cc2)CC1
InChIInChI=1S/C20H30N4/c1-20(2,3)19-10-12-24(21-19)18-7-5-17(6-8-18)9-11-23-15-13-22(4)14-16-23/h5-8,10,12H,9,11,13-16H2,1-4H3
InChIKeyHHJJQWBTGFGGHN-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.96
Rot. Bonds4

About 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine

1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine (PubChem CID 141134716) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine
PubChem CID141134716
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCc2ccc(-n3ccc(C(C)(C)C)n3)cc2)CC1
InChIInChI=1S/C20H30N4/c1-20(2,3)19-10-12-24(21-19)18-7-5-17(6-8-18)9-11-23-15-13-22(4)14-16-23/h5-8,10,12H,9,11,13-16H2,1-4H3
InChIKeyHHJJQWBTGFGGHN-UHFFFAOYSA-N
XLogP2.96
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]-4-methylpiperazine
CID 141421977
N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-N-methylethanamine
CID 141366767
1-[2-(4-iodophenyl)ethyl]-4-methylpiperazine
CID 134846491
1-[2-[4-(3-tert-butylpyrazol-1-yl)pyrazol-1-yl]ethyl]piperidin-4-ol
CID 141421979
N-[[4-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-2-methoxy-N-methylethanamine
CID 141366779
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]hydroxylamine
CID 143042806
1-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethanone
CID 117368603
1-[[3-(3-tert-butylpyrazol-1-yl)phenyl]methyl]-4-fluoropiperidine
CID 141366794
1-methyl-4-[2-[4-(2H-pyrrol-5-yl)phenyl]ethyl]piperazine
CID 175088304
1-methyl-4-[3-[4-(1-methylpyrazol-3-yl)phenyl]propyl]piperazine
CID 170863336
2-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]guanidine
CID 59777044
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine (CID 141134716) is 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine is CN1CCN(CCc2ccc(-n3ccc(C(C)(C)C)n3)cc2)CC1.
What is the InChIKey of 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine?
The InChIKey is HHJJQWBTGFGGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-20(2,3)19-10-12-24(21-19)18-7-5-17(6-8-18)9-11-23-15-13-22(4)14-16-23/h5-8,10,12H,9,11,13-16H2,1-4H3.
What are the key properties of 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine?
1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine has a molecular weight of 326.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-tert-butylpyrazol-1-yl)phenyl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 141134716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).