1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone

C12H19BrN4O — CID 67084679

IUPAC1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C12H19BrN4O/c1-15(2)9-12(18)16-5-3-11(4-6-16)17-8-10(13)7-14-17/h7-8,11H,3-6,9H2,1-2H3
InChIKeyACSVXSYLHVPPKY-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.37
Rot. Bonds3

About 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone

1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 67084679) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone
PubChem CID67084679
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCC(n2cc(Br)cn2)CC1
InChIInChI=1S/C12H19BrN4O/c1-15(2)9-12(18)16-5-3-11(4-6-16)17-8-10(13)7-14-17/h7-8,11H,3-6,9H2,1-2H3
InChIKeyACSVXSYLHVPPKY-UHFFFAOYSA-N
XLogP1.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone (CID 67084679) is 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCC(n2cc(Br)cn2)CC1.
What is the InChIKey of 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is ACSVXSYLHVPPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-15(2)9-12(18)16-5-3-11(4-6-16)17-8-10(13)7-14-17/h7-8,11H,3-6,9H2,1-2H3.
What are the key properties of 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone?
1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 315.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromopyrazol-1-yl)piperidin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 67084679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).