1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one

C11H17N3O — CID 170992112

IUPAC1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one
SMILESCc1cc(CN2CCC(=O)CC2)nn1C
InChIInChI=1S/C11H17N3O/c1-9-7-10(12-13(9)2)8-14-5-3-11(15)4-6-14/h7H,3-6,8H2,1-2H3
InChIKeyQRJZFWJDWHDKIF-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.89
Rot. Bonds2

About 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one

1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one (PubChem CID 170992112) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one
PubChem CID170992112
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one
SMILESCc1cc(CN2CCC(=O)CC2)nn1C
InChIInChI=1S/C11H17N3O/c1-9-7-10(12-13(9)2)8-14-5-3-11(15)4-6-14/h7H,3-6,8H2,1-2H3
InChIKeyQRJZFWJDWHDKIF-UHFFFAOYSA-N
XLogP0.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one (CID 170992112) is 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one is Cc1cc(CN2CCC(=O)CC2)nn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one?
The InChIKey is QRJZFWJDWHDKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-9-7-10(12-13(9)2)8-14-5-3-11(15)4-6-14/h7H,3-6,8H2,1-2H3.
What are the key properties of 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one?
1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one has a molecular weight of 207.28 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-3-yl)methyl]piperidin-4-one is sourced from PubChem (CID 170992112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).