1-(1-methylpyrazol-4-yl)piperidin-4-one

C9H13N3O — CID 43535089

IUPAC1-(1-methylpyrazol-4-yl)piperidin-4-one
SMILESCn1cc(N2CCC(=O)CC2)cn1
InChIInChI=1S/C9H13N3O/c1-11-7-8(6-10-11)12-4-2-9(13)3-5-12/h6-7H,2-5H2,1H3
InChIKeyNNAZIFFFEMESTQ-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.59
Rot. Bonds1

About 1-(1-methylpyrazol-4-yl)piperidin-4-one

1-(1-methylpyrazol-4-yl)piperidin-4-one (PubChem CID 43535089) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)piperidin-4-one
PubChem CID43535089
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(1-methylpyrazol-4-yl)piperidin-4-one
SMILESCn1cc(N2CCC(=O)CC2)cn1
InChIInChI=1S/C9H13N3O/c1-11-7-8(6-10-11)12-4-2-9(13)3-5-12/h6-7H,2-5H2,1H3
InChIKeyNNAZIFFFEMESTQ-UHFFFAOYSA-N
XLogP0.59
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)piperidin-4-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)piperidin-4-one (CID 43535089) is 1-(1-methylpyrazol-4-yl)piperidin-4-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)piperidin-4-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)piperidin-4-one is Cn1cc(N2CCC(=O)CC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)piperidin-4-one?
The InChIKey is NNAZIFFFEMESTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-11-7-8(6-10-11)12-4-2-9(13)3-5-12/h6-7H,2-5H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)piperidin-4-one?
1-(1-methylpyrazol-4-yl)piperidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)piperidin-4-one is sourced from PubChem (CID 43535089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).