(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone

C12H20N4O — CID 66126872

IUPAC(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C12H20N4O/c1-9-8-11(15(3)14-9)12(17)16-6-4-10(13-2)5-7-16/h8,10,13H,4-7H2,1-3H3
InChIKeyDJJBWCIXLGWPRR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds2

About (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 66126872) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID66126872
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(C)nn2C)CC1
InChIInChI=1S/C12H20N4O/c1-9-8-11(15(3)14-9)12(17)16-6-4-10(13-2)5-7-16/h8,10,13H,4-7H2,1-3H3
InChIKeyDJJBWCIXLGWPRR-UHFFFAOYSA-N
XLogP0.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone (CID 66126872) is (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(C)nn2C)CC1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is DJJBWCIXLGWPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-8-11(15(3)14-9)12(17)16-6-4-10(13-2)5-7-16/h8,10,13H,4-7H2,1-3H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 236.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 66126872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).