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

C16H27Cl2N7 — CID 154893661

IUPAC2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1CN1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C16H25N7.2ClH/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;2*1H
InChIKeyIXAZTULAKJLZBN-UHFFFAOYSA-N
MW388.35 g/mol
LogP0.88
Rot. Bonds4

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

2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride (PubChem CID 154893661) has the molecular formula C16H27Cl2N7 and a molecular weight of 388.35 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;dihydrochloride.

Molecular Properties

Compound Name2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride
PubChem CID154893661
Molecular FormulaC16H27Cl2N7
Molecular Weight388.35 g/mol
Exact Mass387.17
IUPAC Name2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1CN1CCN(Cc2cc3n(n2)CCNC3)CC1
InChIInChI=1S/C16H25N7.2ClH/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;2*1H
InChIKeyIXAZTULAKJLZBN-UHFFFAOYSA-N
XLogP0.88
TPSA54.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperazin-1-yl]-1H-pyridazin-6-one;dihydrochloride
CID 154893061
2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 56888635
2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83694497
2-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56906009
N-ethyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 129415771
1-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propan-1-one;dihydrochloride
CID 154894449
N-ethyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154924831
(2R)-2-(pyrrolidin-1-ylmethyl)-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-1,4-oxazepane
CID 95728509
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
2-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 154892862
2-[[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56886042
3-methyl-8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154895528

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;dihydrochloride?
The IUPAC name of 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride (CID 154893661) is 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride.
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;dihydrochloride?
The canonical SMILES for 2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is IXAZTULAKJLZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7.2ClH/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;2*1H.
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;dihydrochloride?
2-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;dihydrochloride has a molecular weight of 388.35 g/mol, XLogP of 0.88, 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;dihydrochloride is sourced from PubChem (CID 154893661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).