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

C17H24N6O — CID 70717051

IUPAC1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C17H24N6O/c24-16-4-1-7-21(16)8-3-9-22-11-6-19-17(22)15-12-14-13-18-5-2-10-23(14)20-15/h6,11-12,18H,1-5,7-10,13H2
InChIKeyXKWDTENHLJUCQX-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.25
Rot. Bonds5

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

1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one (PubChem CID 70717051) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one
PubChem CID70717051
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCn1ccnc1-c1cc2n(n1)CCCNC2
InChIInChI=1S/C17H24N6O/c24-16-4-1-7-21(16)8-3-9-22-11-6-19-17(22)15-12-14-13-18-5-2-10-23(14)20-15/h6,11-12,18H,1-5,7-10,13H2
InChIKeyXKWDTENHLJUCQX-UHFFFAOYSA-N
XLogP1.25
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one (CID 70717051) is 1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCn1ccnc1-c1cc2n(n1)CCCNC2.
What is the InChIKey of 1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is XKWDTENHLJUCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c24-16-4-1-7-21(16)8-3-9-22-11-6-19-17(22)15-12-14-13-18-5-2-10-23(14)20-15/h6,11-12,18H,1-5,7-10,13H2.
What are the key properties of 1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one?
1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 328.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 70717051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).