(2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

C16H22N4O2 — CID 134804644

IUPAC(2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCn1nccc1C(=O)N1CC2CC(C1)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C16H22N4O2/c1-18-14(5-6-17-18)16(22)19-8-11-7-12(10-19)13-3-2-4-15(21)20(13)9-11/h5-6,11-13H,2-4,7-10H2,1H3/t11?,12?,13-/m1/s1
InChIKeySZJXUTLXQVHQIV-WXRRBKDZSA-N
MW302.38 g/mol
LogP0.89
Rot. Bonds1

About (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one

(2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (PubChem CID 134804644) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.

Molecular Properties

Compound Name(2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
PubChem CID134804644
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name(2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
SMILESCn1nccc1C(=O)N1CC2CC(C1)[C@H]1CCCC(=O)N1C2
InChIInChI=1S/C16H22N4O2/c1-18-14(5-6-17-18)16(22)19-8-11-7-12(10-19)13-3-2-4-15(21)20(13)9-11/h5-6,11-13H,2-4,7-10H2,1H3/t11?,12?,13-/m1/s1
InChIKeySZJXUTLXQVHQIV-WXRRBKDZSA-N
XLogP0.89
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The IUPAC name of (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one (CID 134804644) is (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one.
What is the SMILES notation for (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The canonical SMILES for (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is Cn1nccc1C(=O)N1CC2CC(C1)[C@H]1CCCC(=O)N1C2.
What is the InChIKey of (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
The InChIKey is SZJXUTLXQVHQIV-WXRRBKDZSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-18-14(5-6-17-18)16(22)19-8-11-7-12(10-19)13-3-2-4-15(21)20(13)9-11/h5-6,11-13H,2-4,7-10H2,1H3/t11?,12?,13-/m1/s1.
What are the key properties of (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one?
(2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one has a molecular weight of 302.38 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-11-(2-methylpyrazole-3-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one is sourced from PubChem (CID 134804644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).