2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride

C16H25Cl2N5O — CID 154893996

IUPAC2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
SMILESCl.Cl.c1cn(CCC2CCOC2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C16H23N5O.2ClH/c1-4-17-11-14-10-15(19-21(14)6-1)16-18-5-8-20(16)7-2-13-3-9-22-12-13;;/h5,8,10,13,17H,1-4,6-7,9,11-12H2;2*1H
InChIKeyALJRYIIBFXRFEB-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.51
Rot. Bonds4

About 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride

2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride (PubChem CID 154893996) has the molecular formula C16H25Cl2N5O and a molecular weight of 374.32 g/mol. Its IUPAC name is 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride.

Molecular Properties

Compound Name2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
PubChem CID154893996
Molecular FormulaC16H25Cl2N5O
Molecular Weight374.32 g/mol
Exact Mass373.14
IUPAC Name2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
SMILESCl.Cl.c1cn(CCC2CCOC2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C16H23N5O.2ClH/c1-4-17-11-14-10-15(19-21(14)6-1)16-18-5-8-20(16)7-2-13-3-9-22-12-13;;/h5,8,10,13,17H,1-4,6-7,9,11-12H2;2*1H
InChIKeyALJRYIIBFXRFEB-UHFFFAOYSA-N
XLogP2.51
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride with MolForge

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Related Compounds

2-[1-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 95897586
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
CID 56910784
2-[1-[2-(4-methylpiperazin-1-yl)propyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56910958
3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]pyrrolidin-3-ol;dihydrochloride
CID 163334095
5-(2-methylpropyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2-oxazole;hydrochloride
CID 154893385
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
5-(2-methoxyethyl)-3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 154893308
N,N-dimethyl-1-(2-methylphenyl)-2-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]ethanamine;dihydrochloride
CID 154895189
2-[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70768659
2-[1-[(3-phenylpyrazolidin-4-yl)methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 78084607
2-[1-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893169
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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride?
The IUPAC name of 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) is 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride.
What is the SMILES notation for 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride?
The canonical SMILES for 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride is Cl.Cl.c1cn(CCC2CCOC2)c(-c2cc3n(n2)CCCNC3)n1.
What is the InChIKey of 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride?
The InChIKey is ALJRYIIBFXRFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.2ClH/c1-4-17-11-14-10-15(19-21(14)6-1)16-18-5-8-20(16)7-2-13-3-9-22-12-13;;/h5,8,10,13,17H,1-4,6-7,9,11-12H2;2*1H.
What are the key properties of 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride?
2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride has a molecular weight of 374.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride is sourced from PubChem (CID 154893996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).