4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride

C17H22Cl2N6O2S — CID 154894310

IUPAC4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NS(=O)(=O)c1ccc(CCn2ccnc2-c2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C17H20N6O2S.2ClH/c18-26(24,25)15-3-1-13(2-4-15)5-8-22-9-7-20-17(22)16-11-14-12-19-6-10-23(14)21-16;;/h1-4,7,9,11,19H,5-6,8,10,12H2,(H2,18,24,25);2*1H
InChIKeyOITVRDWDWCPTOZ-UHFFFAOYSA-N
MW445.38 g/mol
LogP1.58
Rot. Bonds5

About 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride

4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride (PubChem CID 154894310) has the molecular formula C17H22Cl2N6O2S and a molecular weight of 445.38 g/mol. Its IUPAC name is 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride.

Molecular Properties

Compound Name4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride
PubChem CID154894310
Molecular FormulaC17H22Cl2N6O2S
Molecular Weight445.38 g/mol
Exact Mass444.09
IUPAC Name4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride
SMILESCl.Cl.NS(=O)(=O)c1ccc(CCn2ccnc2-c2cc3n(n2)CCNC3)cc1
InChIInChI=1S/C17H20N6O2S.2ClH/c18-26(24,25)15-3-1-13(2-4-15)5-8-22-9-7-20-17(22)16-11-14-12-19-6-10-23(14)21-16;;/h1-4,7,9,11,19H,5-6,8,10,12H2,(H2,18,24,25);2*1H
InChIKeyOITVRDWDWCPTOZ-UHFFFAOYSA-N
XLogP1.58
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-5-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]-1,2,4-oxadiazole;dihydrochloride
CID 154895537
(2R)-1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 95872865
1-piperazin-1-yl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-2-ol
CID 70744871
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
N-methyl-5-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide
CID 70762490
2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893996
2-[1-(3-ethylphenyl)imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 154893483
2-[1-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56894413
N-methyl-5-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]furan-2-carboxamide
CID 56896868
2-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 70787072
(2S)-4-phenyl-2-[[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]methyl]morpholine
CID 95867093
(2S)-2-(furan-2-ylmethyl)-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]propan-1-ol
CID 95873065

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride?
The IUPAC name of 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride (CID 154894310) is 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride.
What is the SMILES notation for 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride?
The canonical SMILES for 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride is Cl.Cl.NS(=O)(=O)c1ccc(CCn2ccnc2-c2cc3n(n2)CCNC3)cc1.
What is the InChIKey of 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride?
The InChIKey is OITVRDWDWCPTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2S.2ClH/c18-26(24,25)15-3-1-13(2-4-15)5-8-22-9-7-20-17(22)16-11-14-12-19-6-10-23(14)21-16;;/h1-4,7,9,11,19H,5-6,8,10,12H2,(H2,18,24,25);2*1H.
What are the key properties of 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride?
4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride has a molecular weight of 445.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)imidazol-1-yl]ethyl]benzenesulfonamide;dihydrochloride is sourced from PubChem (CID 154894310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).