1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone

C11H17N3O — CID 116564116

IUPAC1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
SMILESCn1cc(C(=O)CC2CCCNC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-8-10(7-13-14)11(15)5-9-3-2-4-12-6-9/h7-9,12H,2-6H2,1H3
InChIKeyXIFUVVQBZJYZAE-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.99
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone

1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone (PubChem CID 116564116) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
PubChem CID116564116
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
SMILESCn1cc(C(=O)CC2CCCNC2)cn1
InChIInChI=1S/C11H17N3O/c1-14-8-10(7-13-14)11(15)5-9-3-2-4-12-6-9/h7-9,12H,2-6H2,1H3
InChIKeyXIFUVVQBZJYZAE-UHFFFAOYSA-N
XLogP0.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-3-yl)-1-(1-methylpyrazol-4-yl)ethanone
CID 116582203
1-(1-ethylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564082
N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylacetamide
CID 62675763
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
CID 130523385
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 60800702
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-piperidin-3-ylethanone
CID 114668929
2-piperidin-3-yl-1-thiophen-3-ylethanone
CID 116564139
3-[(1-methylpyrazol-4-yl)methoxymethyl]piperidine
CID 62340735
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119887289
2-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 62902855

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone (CID 116564116) is 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone is Cn1cc(C(=O)CC2CCCNC2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone?
The InChIKey is XIFUVVQBZJYZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14-8-10(7-13-14)11(15)5-9-3-2-4-12-6-9/h7-9,12H,2-6H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone?
1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone has a molecular weight of 207.28 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 116564116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).