2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one

C15H25N3O — CID 146088793

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCN(C(=O)C(C)c2c(C)n[nH]c2C)C1
InChIInChI=1S/C15H25N3O/c1-5-13-7-6-8-18(9-13)15(19)10(2)14-11(3)16-17-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,17)
InChIKeyPLWQPVSGIWGKQM-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds3

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one

2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one (PubChem CID 146088793) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one
PubChem CID146088793
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCN(C(=O)C(C)c2c(C)n[nH]c2C)C1
InChIInChI=1S/C15H25N3O/c1-5-13-7-6-8-18(9-13)15(19)10(2)14-11(3)16-17-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,17)
InChIKeyPLWQPVSGIWGKQM-UHFFFAOYSA-N
XLogP2.78
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 154754283
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethyl-3-phenylazetidin-1-yl)propan-1-one
CID 146092340
2-(3-ethylpiperidine-1-carbonyl)-3-methylbutanenitrile
CID 55207933
(3,5-dimethyl-1H-pyrazol-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205635
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[9-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 167933331
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 51467588
(3-ethylpiperidin-1-yl)-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
CID 56812347
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
1-[(3R)-3-ethylpiperidin-1-yl]-2-methoxyethanone
CID 155354237
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
2-(3,5-dimethyl-1H-pyrazol-4-yl)propanoate
CID 75655752

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one (CID 146088793) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one is CCC1CCCN(C(=O)C(C)c2c(C)n[nH]c2C)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is PLWQPVSGIWGKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-13-7-6-8-18(9-13)15(19)10(2)14-11(3)16-17-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 146088793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).