1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one

C14H23N3O — CID 90494857

IUPAC1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C14H23N3O/c1-2-3-5-14(18)16-10-6-13(7-11-16)12-17-9-4-8-15-17/h4,8-9,13H,2-3,5-7,10-12H2,1H3
InChIKeyBZKOAUMNHBUDLF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.31
Rot. Bonds5

About 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one

1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one (PubChem CID 90494857) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
PubChem CID90494857
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C14H23N3O/c1-2-3-5-14(18)16-10-6-13(7-11-16)12-17-9-4-8-15-17/h4,8-9,13H,2-3,5-7,10-12H2,1H3
InChIKeyBZKOAUMNHBUDLF-UHFFFAOYSA-N
XLogP2.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
3-(benzenesulfonyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90495105
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
2-(1-methyltetrazol-5-yl)sulfanyl-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 90494845
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119880907
2-(3,4-dimethoxyphenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906661
2-methyl-6-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 90495112
(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 52906708
1-[4-(2-methylpropyl)piperidin-1-yl]pentan-1-one
CID 171554697

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one (CID 90494857) is 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one?
The InChIKey is BZKOAUMNHBUDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-3-5-14(18)16-10-6-13(7-11-16)12-17-9-4-8-15-17/h4,8-9,13H,2-3,5-7,10-12H2,1H3.
What are the key properties of 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one?
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one has a molecular weight of 249.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 90494857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).