2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C22H33N5 — CID 56888635

IUPAC2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1ccc(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)cc1
InChIInChI=1S/C22H33N5/c1-22(2,3)19-6-4-18(5-7-19)16-25-10-12-26(13-11-25)17-20-14-21-15-23-8-9-27(21)24-20/h4-7,14,23H,8-13,15-17H2,1-3H3
InChIKeyDDEOCCLGGSFNCO-UHFFFAOYSA-N
MW367.54 g/mol
LogP2.60
Rot. Bonds4

About 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 56888635) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID56888635
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCC(C)(C)c1ccc(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)cc1
InChIInChI=1S/C22H33N5/c1-22(2,3)19-6-4-18(5-7-19)16-25-10-12-26(13-11-25)17-20-14-21-15-23-8-9-27(21)24-20/h4-7,14,23H,8-13,15-17H2,1-3H3
InChIKeyDDEOCCLGGSFNCO-UHFFFAOYSA-N
XLogP2.60
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 56888635) is 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CC(C)(C)c1ccc(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)cc1.
What is the InChIKey of 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is DDEOCCLGGSFNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-22(2,3)19-6-4-18(5-7-19)16-25-10-12-26(13-11-25)17-20-14-21-15-23-8-9-27(21)24-20/h4-7,14,23H,8-13,15-17H2,1-3H3.
What are the key properties of 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 367.54 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 56888635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).