2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one

C15H25N3O — CID 92551768

IUPAC2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
SMILESCn1cc([C@H]2CCCCCN2C(=O)C(C)(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14(19)18-9-7-5-6-8-13(18)12-10-16-17(4)11-12/h10-11,13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyXEXMYSHUMFFWGJ-CYBMUJFWSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds1

About 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one

2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one (PubChem CID 92551768) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
PubChem CID92551768
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one
SMILESCn1cc([C@H]2CCCCCN2C(=O)C(C)(C)C)cn1
InChIInChI=1S/C15H25N3O/c1-15(2,3)14(19)18-9-7-5-6-8-13(18)12-10-16-17(4)11-12/h10-11,13H,5-9H2,1-4H3/t13-/m1/s1
InChIKeyXEXMYSHUMFFWGJ-CYBMUJFWSA-N
XLogP2.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-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

cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119877995
(3-aminocyclopentyl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 119877945
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 146103274
1-[2-(4-bromophenyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 84606143
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95348858
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 100843589
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95336852
2,2-dimethyl-1-[(2R)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
CID 95843127
2,2-dimethyl-1-[(2S)-2-pyrazin-2-ylpiperidin-1-yl]propan-1-one
CID 95843128
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one (CID 92551768) is 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one is Cn1cc([C@H]2CCCCCN2C(=O)C(C)(C)C)cn1.
What is the InChIKey of 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one?
The InChIKey is XEXMYSHUMFFWGJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N3O/c1-15(2,3)14(19)18-9-7-5-6-8-13(18)12-10-16-17(4)11-12/h10-11,13H,5-9H2,1-4H3/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one?
2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]propan-1-one is sourced from PubChem (CID 92551768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).