(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone

C12H19N3O — CID 116567524

IUPAC(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
SMILESCCn1nccc1C(=O)C1(C)CCNCC1
InChIInChI=1S/C12H19N3O/c1-3-15-10(4-7-14-15)11(16)12(2)5-8-13-9-6-12/h4,7,13H,3,5-6,8-9H2,1-2H3
InChIKeyIHUVJHKNBCGGJS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone

(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone (PubChem CID 116567524) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
PubChem CID116567524
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone
SMILESCCn1nccc1C(=O)C1(C)CCNCC1
InChIInChI=1S/C12H19N3O/c1-3-15-10(4-7-14-15)11(16)12(2)5-8-13-9-6-12/h4,7,13H,3,5-6,8-9H2,1-2H3
InChIKeyIHUVJHKNBCGGJS-UHFFFAOYSA-N
XLogP1.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)-(1-methylcyclopentyl)methanone
CID 114972401
(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107331635
(2-ethylpyrazol-3-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 116608096
(4-methoxypiperidin-4-yl)-(2-propylpyrazol-3-yl)methanone
CID 114284479
[1-(dimethylamino)cycloheptyl]-(2-ethylpyrazol-3-yl)methanone
CID 79074193
(2-ethylpyrazol-3-yl)-(1-methoxycycloheptyl)methanone
CID 116750647
(4-methylpiperidin-4-yl)-(3-propyltriazol-4-yl)methanone
CID 114691980
(2-methylpyrrolidin-2-yl)-(2-propylpyrazol-3-yl)methanone
CID 116580459
(4-bromo-1-ethylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669209
3-ethyl-1-(2-ethylpyrazol-3-yl)pent-2-en-1-one
CID 103458810
2-(1-aminocyclohexyl)-1-(2-ethylpyrazol-3-yl)ethanone
CID 116578933
(2-ethylpyrazol-3-yl)-morpholin-3-ylmethanone
CID 116576217

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone (CID 116567524) is (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone is CCn1nccc1C(=O)C1(C)CCNCC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone?
The InChIKey is IHUVJHKNBCGGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15-10(4-7-14-15)11(16)12(2)5-8-13-9-6-12/h4,7,13H,3,5-6,8-9H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone?
(2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(4-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 116567524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).