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

C16H25N7 — CID 56908417

IUPAC2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCn1ccnc1CN1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C16H25N7/c1-20-4-3-18-16(20)13-22-8-6-21(7-9-22)12-14-10-15-11-17-2-5-23(15)19-14/h3-4,10,17H,2,5-9,11-13H2,1H3
InChIKeyKMEIPCSKACOSJJ-UHFFFAOYSA-N
MW315.43 g/mol
LogP0.04
Rot. Bonds4

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

2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 56908417) has the molecular formula C16H25N7 and a molecular weight of 315.43 g/mol. Its IUPAC name is 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID56908417
Molecular FormulaC16H25N7
Molecular Weight315.43 g/mol
Exact Mass315.22
IUPAC Name2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCn1ccnc1CN1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C16H25N7/c1-20-4-3-18-16(20)13-22-8-6-21(7-9-22)12-14-10-15-11-17-2-5-23(15)19-14/h3-4,10,17H,2,5-9,11-13H2,1H3
InChIKeyKMEIPCSKACOSJJ-UHFFFAOYSA-N
XLogP0.04
TPSA54.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.43
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 56908417) is 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Cn1ccnc1CN1CCN(Cc2cc3n(n2)CCNC3)CC1.
What is the InChIKey of 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is KMEIPCSKACOSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7/c1-20-4-3-18-16(20)13-22-8-6-21(7-9-22)12-14-10-15-11-17-2-5-23(15)19-14/h3-4,10,17H,2,5-9,11-13H2,1H3.
What are the key properties of 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 315.43 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 56908417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).