3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

C17H25N5O — CID 118739948

IUPAC3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1CCC(=O)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C17H25N5O/c1-13(2)17-18-9-12-21(17)11-7-16(23)22-10-4-3-5-15(22)14-6-8-19-20-14/h6,8-9,12-13,15H,3-5,7,10-11H2,1-2H3,(H,19,20)
InChIKeyHQZPKAJXMAIBDO-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.87
Rot. Bonds5

About 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 118739948) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID118739948
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCC(C)c1nccn1CCC(=O)N1CCCCC1c1ccn[nH]1
InChIInChI=1S/C17H25N5O/c1-13(2)17-18-9-12-21(17)11-7-16(23)22-10-4-3-5-15(22)14-6-8-19-20-14/h6,8-9,12-13,15H,3-5,7,10-11H2,1-2H3,(H,19,20)
InChIKeyHQZPKAJXMAIBDO-UHFFFAOYSA-N
XLogP2.87
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one (CID 118739948) is 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is CC(C)c1nccn1CCC(=O)N1CCCCC1c1ccn[nH]1.
What is the InChIKey of 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is HQZPKAJXMAIBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(2)17-18-9-12-21(17)11-7-16(23)22-10-4-3-5-15(22)14-6-8-19-20-14/h6,8-9,12-13,15H,3-5,7,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one?
3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 315.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-ylimidazol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 118739948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).