1-(1-methylpyrazole-4-carbonyl)piperidin-4-one

C10H13N3O2 — CID 28742894

IUPAC1-(1-methylpyrazole-4-carbonyl)piperidin-4-one
SMILESCn1cc(C(=O)N2CCC(=O)CC2)cn1
InChIInChI=1S/C10H13N3O2/c1-12-7-8(6-11-12)10(15)13-4-2-9(14)3-5-13/h6-7H,2-5H2,1H3
InChIKeySELBAGNZBMFFOA-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.23
Rot. Bonds1

About 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one

1-(1-methylpyrazole-4-carbonyl)piperidin-4-one (PubChem CID 28742894) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(1-methylpyrazole-4-carbonyl)piperidin-4-one
PubChem CID28742894
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(1-methylpyrazole-4-carbonyl)piperidin-4-one
SMILESCn1cc(C(=O)N2CCC(=O)CC2)cn1
InChIInChI=1S/C10H13N3O2/c1-12-7-8(6-11-12)10(15)13-4-2-9(14)3-5-13/h6-7H,2-5H2,1H3
InChIKeySELBAGNZBMFFOA-UHFFFAOYSA-N
XLogP0.23
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one?
The IUPAC name of 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one (CID 28742894) is 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one is Cn1cc(C(=O)N2CCC(=O)CC2)cn1.
What is the InChIKey of 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one?
The InChIKey is SELBAGNZBMFFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-7-8(6-11-12)10(15)13-4-2-9(14)3-5-13/h6-7H,2-5H2,1H3.
What are the key properties of 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one?
1-(1-methylpyrazole-4-carbonyl)piperidin-4-one has a molecular weight of 207.23 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazole-4-carbonyl)piperidin-4-one is sourced from PubChem (CID 28742894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).