1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one

C18H28N4O2 — CID 124916374

IUPAC1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@@H]1CN(C2CCOCC2)Cc2ccnn2C1
InChIInChI=1S/C18H28N4O2/c23-18-2-1-8-20(18)9-4-15-12-21(16-5-10-24-11-6-16)14-17-3-7-19-22(17)13-15/h3,7,15-16H,1-2,4-6,8-14H2/t15-/m1/s1
InChIKeyKYGGKHDIYNPCPL-OAHLLOKOSA-N
MW332.45 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one

1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one (PubChem CID 124916374) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one
PubChem CID124916374
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@@H]1CN(C2CCOCC2)Cc2ccnn2C1
InChIInChI=1S/C18H28N4O2/c23-18-2-1-8-20(18)9-4-15-12-21(16-5-10-24-11-6-16)14-17-3-7-19-22(17)13-15/h3,7,15-16H,1-2,4-6,8-14H2/t15-/m1/s1
InChIKeyKYGGKHDIYNPCPL-OAHLLOKOSA-N
XLogP1.51
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one (CID 124916374) is 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC[C@@H]1CN(C2CCOCC2)Cc2ccnn2C1.
What is the InChIKey of 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one?
The InChIKey is KYGGKHDIYNPCPL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-18-2-1-8-20(18)9-4-15-12-21(16-5-10-24-11-6-16)14-17-3-7-19-22(17)13-15/h3,7,15-16H,1-2,4-6,8-14H2/t15-/m1/s1.
What are the key properties of 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one?
1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 124916374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).