2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C17H26N6 — CID 70782088

IUPAC2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cn(CCCN2CCCC2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C17H26N6/c1-2-8-21(7-1)9-4-10-22-12-6-19-17(22)16-13-15-14-18-5-3-11-23(15)20-16/h6,12-13,18H,1-5,7-11,14H2
InChIKeyRWSKVFXNBDGCGC-UHFFFAOYSA-N
MW314.44 g/mol
LogP1.73
Rot. Bonds5

About 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 70782088) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID70782088
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESc1cn(CCCN2CCCC2)c(-c2cc3n(n2)CCCNC3)n1
InChIInChI=1S/C17H26N6/c1-2-8-21(7-1)9-4-10-22-12-6-19-17(22)16-13-15-14-18-5-3-11-23(15)20-16/h6,12-13,18H,1-5,7-11,14H2
InChIKeyRWSKVFXNBDGCGC-UHFFFAOYSA-N
XLogP1.73
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 70782088) is 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is c1cn(CCCN2CCCC2)c(-c2cc3n(n2)CCCNC3)n1.
What is the InChIKey of 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is RWSKVFXNBDGCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-2-8-21(7-1)9-4-10-22-12-6-19-17(22)16-13-15-14-18-5-3-11-23(15)20-16/h6,12-13,18H,1-5,7-11,14H2.
What are the key properties of 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 314.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 70782088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).