1-(1-methylpyrazole-3-carbonyl)piperidin-3-one

C10H13N3O2 — CID 103118157

IUPAC1-(1-methylpyrazole-3-carbonyl)piperidin-3-one
SMILESCn1ccc(C(=O)N2CCCC(=O)C2)n1
InChIInChI=1S/C10H13N3O2/c1-12-6-4-9(11-12)10(15)13-5-2-3-8(14)7-13/h4,6H,2-3,5,7H2,1H3
InChIKeyAAYOAOOHOAWICP-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.23
Rot. Bonds1

About 1-(1-methylpyrazole-3-carbonyl)piperidin-3-one

1-(1-methylpyrazole-3-carbonyl)piperidin-3-one (PubChem CID 103118157) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(1-methylpyrazole-3-carbonyl)piperidin-3-one.

Molecular Properties

Compound Name1-(1-methylpyrazole-3-carbonyl)piperidin-3-one
PubChem CID103118157
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(1-methylpyrazole-3-carbonyl)piperidin-3-one
SMILESCn1ccc(C(=O)N2CCCC(=O)C2)n1
InChIInChI=1S/C10H13N3O2/c1-12-6-4-9(11-12)10(15)13-5-2-3-8(14)7-13/h4,6H,2-3,5,7H2,1H3
InChIKeyAAYOAOOHOAWICP-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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Related Compounds

(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(1-methylpyrazol-3-yl)methanone
CID 103121100
1-(pyridazine-4-carbonyl)piperidin-3-one
CID 104670556
1,4-dioxa-9-azaspiro[4.5]decan-9-yl-(1-methylpyrazol-3-yl)methanone
CID 103860781
[3-(chloromethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122381
1-(1-methylpyrazol-3-yl)piperidin-3-one
CID 112708703
[3-(bromomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122473
(3S)-N,N-dimethyl-1-(1-methylpyrazole-3-carbonyl)piperidine-3-carboxamide
CID 95828671
4-[(3S)-1-(1-methylpyrazole-3-carbonyl)piperidin-3-yl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 92567131
(1-methylpyrazol-3-yl)-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95749808

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazole-3-carbonyl)piperidin-3-one?
The IUPAC name of 1-(1-methylpyrazole-3-carbonyl)piperidin-3-one (CID 103118157) is 1-(1-methylpyrazole-3-carbonyl)piperidin-3-one.
What is the SMILES notation for 1-(1-methylpyrazole-3-carbonyl)piperidin-3-one?
The canonical SMILES for 1-(1-methylpyrazole-3-carbonyl)piperidin-3-one is Cn1ccc(C(=O)N2CCCC(=O)C2)n1.
What is the InChIKey of 1-(1-methylpyrazole-3-carbonyl)piperidin-3-one?
The InChIKey is AAYOAOOHOAWICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-6-4-9(11-12)10(15)13-5-2-3-8(14)7-13/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 1-(1-methylpyrazole-3-carbonyl)piperidin-3-one?
1-(1-methylpyrazole-3-carbonyl)piperidin-3-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-3-carbonyl)piperidin-3-one is sourced from PubChem (CID 103118157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).