2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide

C18H24N4O2 — CID 91767416

IUPAC2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCCn2nc(CO)cc2C1)NCCc1ccccc1
InChIInChI=1S/C18H24N4O2/c23-14-16-11-17-12-21(9-4-10-22(17)20-16)13-18(24)19-8-7-15-5-2-1-3-6-15/h1-3,5-6,11,23H,4,7-10,12-14H2,(H,19,24)
InChIKeyXXVJQLNLNGMMBB-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.94
Rot. Bonds6

About 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide

2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide (PubChem CID 91767416) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide
PubChem CID91767416
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CN1CCCn2nc(CO)cc2C1)NCCc1ccccc1
InChIInChI=1S/C18H24N4O2/c23-14-16-11-17-12-21(9-4-10-22(17)20-16)13-18(24)19-8-7-15-5-2-1-3-6-15/h1-3,5-6,11,23H,4,7-10,12-14H2,(H,19,24)
InChIKeyXXVJQLNLNGMMBB-UHFFFAOYSA-N
XLogP0.94
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide (CID 91767416) is 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide is O=C(CN1CCCn2nc(CO)cc2C1)NCCc1ccccc1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is XXVJQLNLNGMMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-14-16-11-17-12-21(9-4-10-22(17)20-16)13-18(24)19-8-7-15-5-2-1-3-6-15/h1-3,5-6,11,23H,4,7-10,12-14H2,(H,19,24).
What are the key properties of 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide?
2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 91767416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).