2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone

C14H24N4O — CID 62124766

IUPAC2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCCC(C)C2C)c(C)c1N
InChIInChI=1S/C14H24N4O/c1-9-6-5-7-17(11(9)3)13(19)8-18-12(4)14(15)10(2)16-18/h9,11H,5-8,15H2,1-4H3
InChIKeyRXRPLVSWKAOPKZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.73
Rot. Bonds2

About 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone

2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone (PubChem CID 62124766) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone
PubChem CID62124766
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone
SMILESCc1nn(CC(=O)N2CCCC(C)C2C)c(C)c1N
InChIInChI=1S/C14H24N4O/c1-9-6-5-7-17(11(9)3)13(19)8-18-12(4)14(15)10(2)16-18/h9,11H,5-8,15H2,1-4H3
InChIKeyRXRPLVSWKAOPKZ-UHFFFAOYSA-N
XLogP1.73
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone (CID 62124766) is 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone is Cc1nn(CC(=O)N2CCCC(C)C2C)c(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
The InChIKey is RXRPLVSWKAOPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-9-6-5-7-17(11(9)3)13(19)8-18-12(4)14(15)10(2)16-18/h9,11H,5-8,15H2,1-4H3.
What are the key properties of 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone?
2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone has a molecular weight of 264.37 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylpyrazol-1-yl)-1-(2,3-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 62124766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).