1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one

C11H17N3O — CID 112709136

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one
SMILESCc1n[nH]c(C)c1CN1CCCC(=O)C1
InChIInChI=1S/C11H17N3O/c1-8-11(9(2)13-12-8)7-14-5-3-4-10(15)6-14/h3-7H2,1-2H3,(H,12,13)
InChIKeyKQXYCYDYCQXCTF-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.19
Rot. Bonds2

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one

1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one (PubChem CID 112709136) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one
PubChem CID112709136
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one
SMILESCc1n[nH]c(C)c1CN1CCCC(=O)C1
InChIInChI=1S/C11H17N3O/c1-8-11(9(2)13-12-8)7-14-5-3-4-10(15)6-14/h3-7H2,1-2H3,(H,12,13)
InChIKeyKQXYCYDYCQXCTF-UHFFFAOYSA-N
XLogP1.19
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one (CID 112709136) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one is Cc1n[nH]c(C)c1CN1CCCC(=O)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one?
The InChIKey is KQXYCYDYCQXCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-11(9(2)13-12-8)7-14-5-3-4-10(15)6-14/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one has a molecular weight of 207.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-one is sourced from PubChem (CID 112709136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).