(3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone

C11H17N5O — CID 25269540

IUPAC(3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
SMILESNc1cc(C(=O)N2CCN3CCC2CC3)[nH]n1
InChIInChI=1S/C11H17N5O/c12-10-7-9(13-14-10)11(17)16-6-5-15-3-1-8(16)2-4-15/h7-8H,1-6H2,(H3,12,13,14)
InChIKeyQGXVVMXJHZOYKG-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.09
Rot. Bonds1

About (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone

(3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone (PubChem CID 25269540) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
PubChem CID25269540
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name(3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone
SMILESNc1cc(C(=O)N2CCN3CCC2CC3)[nH]n1
InChIInChI=1S/C11H17N5O/c12-10-7-9(13-14-10)11(17)16-6-5-15-3-1-8(16)2-4-15/h7-8H,1-6H2,(H3,12,13,14)
InChIKeyQGXVVMXJHZOYKG-UHFFFAOYSA-N
XLogP-0.09
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone (CID 25269540) is (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone is Nc1cc(C(=O)N2CCN3CCC2CC3)[nH]n1.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
The InChIKey is QGXVVMXJHZOYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c12-10-7-9(13-14-10)11(17)16-6-5-15-3-1-8(16)2-4-15/h7-8H,1-6H2,(H3,12,13,14).
What are the key properties of (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone?
(3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone has a molecular weight of 235.29 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-pyrazol-5-yl)-(1,4-diazabicyclo[3.2.2]nonan-4-yl)methanone is sourced from PubChem (CID 25269540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).