2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C15H21N5O — CID 70787443

IUPAC2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cn(C2CCOCC2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C15H21N5O/c1-4-16-11-13-10-14(18-20(13)6-1)15-17-5-7-19(15)12-2-8-21-9-3-12/h5,7,10,12,16H,1-4,6,8-9,11H2
InChIKeyQCDJVGAZIMAMGE-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.59
Rot. Bonds2

About 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 70787443) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID70787443
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cn(C2CCOCC2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C15H21N5O/c1-4-16-11-13-10-14(18-20(13)6-1)15-17-5-7-19(15)12-2-8-21-9-3-12/h5,7,10,12,16H,1-4,6,8-9,11H2
InChIKeyQCDJVGAZIMAMGE-UHFFFAOYSA-N
XLogP1.59
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
CID 56893902
2-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56904821
2-{1-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56909304
2-(1-{2-[(trifluoromethyl)thio]ethyl}-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70726462
3-(2-methyl-1H-imidazol-1-yl)-N-[(5-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide
CID 70781862
2-{1-[2-(4-methyl-1-piperazinyl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56910958
1-{3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1H-imidazol-1-yl]propyl}-2-pyrrolidinone
CID 70717051
2-{1-[2-(1-pyrrolidinyl)ethyl]-1H-imidazol-2-yl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine dihydrochloride
CID 70719648
2-[1-(1,4-dioxan-2-ylmethyl)-1H-imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70736265
2-{1-[3-(1-pyrrolidinyl)propyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 70782088
2-{1-[(1-ethyl-2-pyrrolidinyl)methyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 70785822
N-cyclohexyl-3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-1H-imidazol-1-yl]propanamide dihydrochloride
CID 56910459

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 70787443) is 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is c1cn(C2CCOCC2)c(-c2cc3n(n2)CCCNC3)n1.
What is the InChIKey of 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is QCDJVGAZIMAMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-16-11-13-10-14(18-20(13)6-1)15-17-5-7-19(15)12-2-8-21-9-3-12/h5,7,10,12,16H,1-4,6,8-9,11H2.
What are the key properties of 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 287.37 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxan-4-yl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 70787443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).