(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

C14H24N4O — CID 104966894

IUPAC(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCc1nn(C)c(C(=O)N2[C@H](C)CCC[C@@H]2C)c1N
InChIInChI=1S/C14H24N4O/c1-5-11-12(15)13(17(4)16-11)14(19)18-9(2)7-6-8-10(18)3/h9-10H,5-8,15H2,1-4H3/t9-,10+
InChIKeyIXICYLZIBSRAES-AOOOYVTPSA-N
MW264.37 g/mol
LogP1.97
Rot. Bonds2

About (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone

(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (PubChem CID 104966894) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
PubChem CID104966894
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
SMILESCCc1nn(C)c(C(=O)N2[C@H](C)CCC[C@@H]2C)c1N
InChIInChI=1S/C14H24N4O/c1-5-11-12(15)13(17(4)16-11)14(19)18-9(2)7-6-8-10(18)3/h9-10H,5-8,15H2,1-4H3/t9-,10+
InChIKeyIXICYLZIBSRAES-AOOOYVTPSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The IUPAC name of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone (CID 104966894) is (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The canonical SMILES for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is CCc1nn(C)c(C(=O)N2[C@H](C)CCC[C@@H]2C)c1N.
What is the InChIKey of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
The InChIKey is IXICYLZIBSRAES-AOOOYVTPSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-11-12(15)13(17(4)16-11)14(19)18-9(2)7-6-8-10(18)3/h9-10H,5-8,15H2,1-4H3/t9-,10+.
What are the key properties of (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone?
(4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone has a molecular weight of 264.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-ethyl-1-methylpyrazol-5-yl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone is sourced from PubChem (CID 104966894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).