2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide

C12H21N5O — CID 54988876

IUPAC2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide
SMILESCc1nn(C)c(N2CCC(CC(N)=O)CC2)c1N
InChIInChI=1S/C12H21N5O/c1-8-11(14)12(16(2)15-8)17-5-3-9(4-6-17)7-10(13)18/h9H,3-7,14H2,1-2H3,(H2,13,18)
InChIKeyDAIWTFPUDXYXMJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.40
Rot. Bonds3

About 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide

2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide (PubChem CID 54988876) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide
PubChem CID54988876
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide
SMILESCc1nn(C)c(N2CCC(CC(N)=O)CC2)c1N
InChIInChI=1S/C12H21N5O/c1-8-11(14)12(16(2)15-8)17-5-3-9(4-6-17)7-10(13)18/h9H,3-7,14H2,1-2H3,(H2,13,18)
InChIKeyDAIWTFPUDXYXMJ-UHFFFAOYSA-N
XLogP0.40
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide (CID 54988876) is 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide is Cc1nn(C)c(N2CCC(CC(N)=O)CC2)c1N.
What is the InChIKey of 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide?
The InChIKey is DAIWTFPUDXYXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-8-11(14)12(16(2)15-8)17-5-3-9(4-6-17)7-10(13)18/h9H,3-7,14H2,1-2H3,(H2,13,18).
What are the key properties of 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide?
2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 54988876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).