2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C18H29N7 — CID 56890869

IUPAC2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCN1CCCn2nc(CN3CCN(CCn4ccnc4)CC3)cc2C1
InChIInChI=1S/C18H29N7/c1-21-4-2-5-25-18(15-21)13-17(20-25)14-23-10-7-22(8-11-23)9-12-24-6-3-19-16-24/h3,6,13,16H,2,4-5,7-12,14-15H2,1H3
InChIKeyLYRRGSWRPPTUDX-UHFFFAOYSA-N
MW343.48 g/mol
LogP0.73
Rot. Bonds5

About 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 56890869) has the molecular formula C18H29N7 and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID56890869
Molecular FormulaC18H29N7
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC Name2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESCN1CCCn2nc(CN3CCN(CCn4ccnc4)CC3)cc2C1
InChIInChI=1S/C18H29N7/c1-21-4-2-5-25-18(15-21)13-17(20-25)14-23-10-7-22(8-11-23)9-12-24-6-3-19-16-24/h3,6,13,16H,2,4-5,7-12,14-15H2,1H3
InChIKeyLYRRGSWRPPTUDX-UHFFFAOYSA-N
XLogP0.73
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3,5-Dimethylpyrazolyl)-3-imidazolylpyridazine
CID 2998404
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-[(4,4-difluoro-1-piperidinyl)methyl]-5-[(4-methyl-1H-imidazol-5-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 56918064
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
3-(Imidazol-1-ylmethyl)-1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole
CID 97519203
N,N-dimethyl-1-[2-[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]pyrimidin-4-yl]methanamine
CID 110117141

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 56890869) is 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is CN1CCCn2nc(CN3CCN(CCn4ccnc4)CC3)cc2C1.
What is the InChIKey of 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is LYRRGSWRPPTUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7/c1-21-4-2-5-25-18(15-21)13-17(20-25)14-23-10-7-22(8-11-23)9-12-24-6-3-19-16-24/h3,6,13,16H,2,4-5,7-12,14-15H2,1H3.
What are the key properties of 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 343.48 g/mol, XLogP of 0.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methyl]-5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56890869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).