2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one

C11H18N4O — CID 43116728

IUPAC2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cc(N)cn1
InChIInChI=1S/C11H18N4O/c1-9(15-8-10(12)7-13-15)11(16)14-5-3-2-4-6-14/h7-9H,2-6,12H2,1H3
InChIKeyKCEBOFSDYHBYIF-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds2

About 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one

2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 43116728) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID43116728
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cc(N)cn1
InChIInChI=1S/C11H18N4O/c1-9(15-8-10(12)7-13-15)11(16)14-5-3-2-4-6-14/h7-9H,2-6,12H2,1H3
InChIKeyKCEBOFSDYHBYIF-UHFFFAOYSA-N
XLogP1.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hydroxypyrazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 155928497
2-(3-amino-1,2,4-triazol-1-yl)-1-(azepan-1-yl)propan-1-one
CID 54929712
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
4-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 107345214
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 2-(4-aminopyrazol-1-yl)acetate
CID 61315416
(2R)-2-(4-chloropyrazol-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)propan-1-one
CID 125174163
2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 106220722
(2S)-2-(4-bromopyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 35523203
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63999918
1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]propan-1-one
CID 62399439
(2S)-2-(4-chloropyrazol-1-yl)-1-(4,4-difluoropiperidin-1-yl)propan-1-one
CID 125177047
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2,4-triazole-3-carbonitrile
CID 60710126

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one (CID 43116728) is 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)n1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is KCEBOFSDYHBYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(15-8-10(12)7-13-15)11(16)14-5-3-2-4-6-14/h7-9H,2-6,12H2,1H3.
What are the key properties of 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one?
2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 222.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43116728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).