2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane

C17H29N5 — CID 169145388

IUPAC2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane
SMILESCC.Cc1cn(C)c(-c2cc3n(n2)CCCN(C(C)C)C3)n1
InChIInChI=1S/C15H23N5.C2H6/c1-11(2)19-6-5-7-20-13(10-19)8-14(17-20)15-16-12(3)9-18(15)4;1-2/h8-9,11H,5-7,10H2,1-4H3;1-2H3
InChIKeyTXJNSHZLIFGJBO-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.23
Rot. Bonds2

About 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane

2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane (PubChem CID 169145388) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane.

Molecular Properties

Compound Name2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane
PubChem CID169145388
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane
SMILESCC.Cc1cn(C)c(-c2cc3n(n2)CCCN(C(C)C)C3)n1
InChIInChI=1S/C15H23N5.C2H6/c1-11(2)19-6-5-7-20-13(10-19)8-14(17-20)15-16-12(3)9-18(15)4;1-2/h8-9,11H,5-7,10H2,1-4H3;1-2H3
InChIKeyTXJNSHZLIFGJBO-UHFFFAOYSA-N
XLogP3.23
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-Dimethylpyrazol-1-yl)-1-[4-[(1-ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53605638
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-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56896993
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-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56908814
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
N~4~-[(5-cyclohexyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine
CID 70755067
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
N-({5-[(4-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)methanesulfonamide
CID 70783094
N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117141
2-{1-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-1H-imidazol-2-yl}-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine dihydrochloride
CID 56882221

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane?
The IUPAC name of 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane (CID 169145388) is 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane.
What is the SMILES notation for 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane?
The canonical SMILES for 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane is CC.Cc1cn(C)c(-c2cc3n(n2)CCCN(C(C)C)C3)n1.
What is the InChIKey of 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane?
The InChIKey is TXJNSHZLIFGJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5.C2H6/c1-11(2)19-6-5-7-20-13(10-19)8-14(17-20)15-16-12(3)9-18(15)4;1-2/h8-9,11H,5-7,10H2,1-4H3;1-2H3.
What are the key properties of 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane?
2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane has a molecular weight of 303.45 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylimidazol-2-yl)-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;ethane is sourced from PubChem (CID 169145388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).