1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone

C12H19N3O — CID 144607184

IUPAC1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1cnn(C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C12H19N3O/c1-3-11-8-13-15(9-11)12-4-6-14(7-5-12)10(2)16/h8-9,12H,3-7H2,1-2H3
InChIKeyMFPJWFHZMUQBAL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.63
Rot. Bonds2

About 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone

1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone (PubChem CID 144607184) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone
PubChem CID144607184
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone
SMILESCCc1cnn(C2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C12H19N3O/c1-3-11-8-13-15(9-11)12-4-6-14(7-5-12)10(2)16/h8-9,12H,3-7H2,1-2H3
InChIKeyMFPJWFHZMUQBAL-UHFFFAOYSA-N
XLogP1.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone (CID 144607184) is 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone is CCc1cnn(C2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone?
The InChIKey is MFPJWFHZMUQBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-11-8-13-15(9-11)12-4-6-14(7-5-12)10(2)16/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone?
1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpyrazol-1-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 144607184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).