2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane

C16H20N4 — CID 71922533

IUPAC2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane
SMILESCc1cc(C)n(-c2ccc(N3CC4CCC3C4)nc2)n1
InChIInChI=1S/C16H20N4/c1-11-7-12(2)20(18-11)15-5-6-16(17-9-15)19-10-13-3-4-14(19)8-13/h5-7,9,13-14H,3-4,8,10H2,1-2H3
InChIKeyMUOYUQRIXORDFR-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.87
Rot. Bonds2

About 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane

2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane (PubChem CID 71922533) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane
PubChem CID71922533
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane
SMILESCc1cc(C)n(-c2ccc(N3CC4CCC3C4)nc2)n1
InChIInChI=1S/C16H20N4/c1-11-7-12(2)20(18-11)15-5-6-16(17-9-15)19-10-13-3-4-14(19)8-13/h5-7,9,13-14H,3-4,8,10H2,1-2H3
InChIKeyMUOYUQRIXORDFR-UHFFFAOYSA-N
XLogP2.87
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane (CID 71922533) is 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane is Cc1cc(C)n(-c2ccc(N3CC4CCC3C4)nc2)n1.
What is the InChIKey of 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane?
The InChIKey is MUOYUQRIXORDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-11-7-12(2)20(18-11)15-5-6-16(17-9-15)19-10-13-3-4-14(19)8-13/h5-7,9,13-14H,3-4,8,10H2,1-2H3.
What are the key properties of 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane?
2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane has a molecular weight of 268.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 71922533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).