(5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one

C8H7N3O — CID 70072159

IUPAC(5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one
SMILESO=C1C2C3C(c4ccn[nH]4)N1C23
InChIInChI=1S/C8H7N3O/c12-8-5-4-6(11(8)7(4)5)3-1-2-9-10-3/h1-2,4-7H,(H,9,10)
InChIKeySFOCZYZOKWORJT-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.08
Rot. Bonds1

About (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one

(5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one (PubChem CID 70072159) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one.

Molecular Properties

Compound Name(5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one
PubChem CID70072159
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name(5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one
SMILESO=C1C2C3C(c4ccn[nH]4)N1C23
InChIInChI=1S/C8H7N3O/c12-8-5-4-6(11(8)7(4)5)3-1-2-9-10-3/h1-2,4-7H,(H,9,10)
InChIKeySFOCZYZOKWORJT-UHFFFAOYSA-N
XLogP-0.08
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one?
The IUPAC name of (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one (CID 70072159) is (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one.
What is the SMILES notation for (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one?
The canonical SMILES for (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one is O=C1C2C3C(c4ccn[nH]4)N1C23.
What is the InChIKey of (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one?
The InChIKey is SFOCZYZOKWORJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-8-5-4-6(11(8)7(4)5)3-1-2-9-10-3/h1-2,4-7H,(H,9,10).
What are the key properties of (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one?
(5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one has a molecular weight of 161.16 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1H-pyrazol-5-yl)-4-azatricyclo[2.2.0.02,6]hexan-3-one is sourced from PubChem (CID 70072159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).