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

C10H15N3O — CID 82401813

IUPAC1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one
SMILESCc1cn[nH]c1CN1CCC(=O)CC1
InChIInChI=1S/C10H15N3O/c1-8-6-11-12-10(8)7-13-4-2-9(14)3-5-13/h6H,2-5,7H2,1H3,(H,11,12)
InChIKeyUAIDFDYYWLBKNZ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.88
Rot. Bonds2

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

1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one (PubChem CID 82401813) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one.

Molecular Properties

Compound Name1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one
PubChem CID82401813
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one
SMILESCc1cn[nH]c1CN1CCC(=O)CC1
InChIInChI=1S/C10H15N3O/c1-8-6-11-12-10(8)7-13-4-2-9(14)3-5-13/h6H,2-5,7H2,1H3,(H,11,12)
InChIKeyUAIDFDYYWLBKNZ-UHFFFAOYSA-N
XLogP0.88
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one?
The IUPAC name of 1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one (CID 82401813) is 1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one.
What is the SMILES notation for 1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one?
The canonical SMILES for 1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one is Cc1cn[nH]c1CN1CCC(=O)CC1.
What is the InChIKey of 1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one?
The InChIKey is UAIDFDYYWLBKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8-6-11-12-10(8)7-13-4-2-9(14)3-5-13/h6H,2-5,7H2,1H3,(H,11,12).
What are the key properties of 1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one?
1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-4-one is sourced from PubChem (CID 82401813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).