3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one

C10H15N3O — CID 104679143

IUPAC3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one
SMILESCn1ccc(CC2CCCNC2=O)n1
InChIInChI=1S/C10H15N3O/c1-13-6-4-9(12-13)7-8-3-2-5-11-10(8)14/h4,6,8H,2-3,5,7H2,1H3,(H,11,14)
InChIKeyRNLLDOSNBWRDSW-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.49
Rot. Bonds2

About 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one

3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one (PubChem CID 104679143) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one
PubChem CID104679143
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one
SMILESCn1ccc(CC2CCCNC2=O)n1
InChIInChI=1S/C10H15N3O/c1-13-6-4-9(12-13)7-8-3-2-5-11-10(8)14/h4,6,8H,2-3,5,7H2,1H3,(H,11,14)
InChIKeyRNLLDOSNBWRDSW-UHFFFAOYSA-N
XLogP0.49
TPSA46.92 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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 82869773
3-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-one
CID 150666174
3-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
CID 103062148
(3R)-3-[(4-fluorophenyl)methyl]piperidin-2-one
CID 93477738
3-[(4-iodophenyl)methyl]piperidin-2-one
CID 104679212
4-ethyl-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 82870270
2-methyl-3-[(1-methylpyrazol-3-yl)methyl]cyclopentan-1-one
CID 82870749
3-[(dimethylamino)methyl]piperidin-2-one
CID 152616281
3-[(2,5-dimethylphenyl)methyl]piperidin-2-one
CID 104679078
1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
CID 130787739
3-[(2-methoxyphenyl)methyl]piperidin-2-one
CID 104679153
3-[(2-chlorocycloheptyl)methyl]-1-methylpyrazole
CID 82876103

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one?
The IUPAC name of 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one (CID 104679143) is 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one is Cn1ccc(CC2CCCNC2=O)n1.
What is the InChIKey of 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one?
The InChIKey is RNLLDOSNBWRDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-6-4-9(12-13)7-8-3-2-5-11-10(8)14/h4,6,8H,2-3,5,7H2,1H3,(H,11,14).
What are the key properties of 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one?
3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-3-yl)methyl]piperidin-2-one is sourced from PubChem (CID 104679143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).