2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone

C15H25N3O — CID 116569829

IUPAC2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2cnn(CC)c2)CCCNC1
InChIInChI=1S/C15H25N3O/c1-3-6-15(7-5-8-16-12-15)14(19)9-13-10-17-18(4-2)11-13/h10-11,16H,3-9,12H2,1-2H3
InChIKeyPORQVCOQEAQWMP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.18
Rot. Bonds6

About 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone

2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone (PubChem CID 116569829) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
PubChem CID116569829
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2cnn(CC)c2)CCCNC1
InChIInChI=1S/C15H25N3O/c1-3-6-15(7-5-8-16-12-15)14(19)9-13-10-17-18(4-2)11-13/h10-11,16H,3-9,12H2,1-2H3
InChIKeyPORQVCOQEAQWMP-UHFFFAOYSA-N
XLogP2.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethylpyrazol-4-yl)-3-propylpiperidine-3-carboxamide
CID 55166040
1-[1-(aminomethyl)cyclopropyl]-2-(1-ethylpyrazol-4-yl)ethanone
CID 116601394
2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569629
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569789
1-(1-aminocyclopropyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116576739
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569699
(3-ethylpiperidin-3-yl)-(1-propylpyrazol-4-yl)methanone
CID 116568468
2-[4-[(3-propylpiperidine-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 63135004
1-(3-propylpiperidin-3-yl)but-3-yn-1-one
CID 116569591
2-(1-ethylpyrazol-4-yl)-1-(1-morpholin-4-ylcyclopentyl)ethanone
CID 79058765
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569815

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone (CID 116569829) is 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone is CCCC1(C(=O)Cc2cnn(CC)c2)CCCNC1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone?
The InChIKey is PORQVCOQEAQWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-6-15(7-5-8-16-12-15)14(19)9-13-10-17-18(4-2)11-13/h10-11,16H,3-9,12H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone?
2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-1-(3-propylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).