1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone

C11H17N3O — CID 52906688

IUPAC1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C11H17N3O/c1-10(15)13-7-3-11(4-8-13)9-14-6-2-5-12-14/h2,5-6,11H,3-4,7-9H2,1H3
InChIKeyVPZZEJKKXSCYDQ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.14
Rot. Bonds2

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

1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 52906688) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
PubChem CID52906688
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C11H17N3O/c1-10(15)13-7-3-11(4-8-13)9-14-6-2-5-12-14/h2,5-6,11H,3-4,7-9H2,1H3
InChIKeyVPZZEJKKXSCYDQ-UHFFFAOYSA-N
XLogP1.14
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 90494857
1-[9-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 56704217
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103
ethyl 4-oxo-4-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]butanoate
CID 52906692
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869
(1-methylsulfonylpiperidin-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 52906708
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
ethyl 2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetate
CID 90495334
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 119880920
(1-aminocyclopentyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119880907
5-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 138001709
(2-methylsulfanylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494929

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone (CID 52906688) is 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is VPZZEJKKXSCYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10(15)13-7-3-11(4-8-13)9-14-6-2-5-12-14/h2,5-6,11H,3-4,7-9H2,1H3.
What are the key properties of 1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone?
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.14, 2 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]ethanone is sourced from PubChem (CID 52906688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).