(3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

C14H23N5O — CID 70762439

IUPAC(3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESCCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(N)n[nH]1)C2
InChIInChI=1S/C14H23N5O/c1-2-5-18-7-10-3-4-11(18)9-19(8-10)14(20)12-6-13(15)17-16-12/h6,10-11H,2-5,7-9H2,1H3,(H3,15,16,17)/t10-,11-/m1/s1
InChIKeyAGMJKSKEKWMGCE-GHMZBOCLSA-N
MW277.37 g/mol
LogP0.94
Rot. Bonds3

About (3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone

(3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (PubChem CID 70762439) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
PubChem CID70762439
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
SMILESCCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(N)n[nH]1)C2
InChIInChI=1S/C14H23N5O/c1-2-5-18-7-10-3-4-11(18)9-19(8-10)14(20)12-6-13(15)17-16-12/h6,10-11H,2-5,7-9H2,1H3,(H3,15,16,17)/t10-,11-/m1/s1
InChIKeyAGMJKSKEKWMGCE-GHMZBOCLSA-N
XLogP0.94
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.94
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)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The IUPAC name of (3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone (CID 70762439) is (3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone.
What is the SMILES notation for (3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The canonical SMILES for (3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(N)n[nH]1)C2.
What is the InChIKey of (3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
The InChIKey is AGMJKSKEKWMGCE-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-5-18-7-10-3-4-11(18)9-19(8-10)14(20)12-6-13(15)17-16-12/h6,10-11H,2-5,7-9H2,1H3,(H3,15,16,17)/t10-,11-/m1/s1.
What are the key properties of (3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone?
(3-amino-1H-pyrazol-5-yl)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 0.94, 3 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)-[(1R,5R)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone is sourced from PubChem (CID 70762439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).