1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone

C15H25N3O — CID 82869126

IUPAC1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone
SMILESCN(C)C1(C(=O)Cc2ccn(C)n2)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-17(2)15(9-6-4-5-7-10-15)14(19)12-13-8-11-18(3)16-13/h8,11H,4-7,9-10,12H2,1-3H3
InChIKeyDJIKBOYVCWDGHJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.19
Rot. Bonds4

About 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone

1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone (PubChem CID 82869126) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone
PubChem CID82869126
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone
SMILESCN(C)C1(C(=O)Cc2ccn(C)n2)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-17(2)15(9-6-4-5-7-10-15)14(19)12-13-8-11-18(3)16-13/h8,11H,4-7,9-10,12H2,1-3H3
InChIKeyDJIKBOYVCWDGHJ-UHFFFAOYSA-N
XLogP2.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(dimethylamino)cycloheptyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 79063367
[1-(dimethylamino)cyclopentyl]-(1-methylpyrazol-3-yl)methanone
CID 103130453
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116607236
1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
CID 79744204
1-[1-(dimethylamino)cyclohexyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 79066115
1-[(1-methylpyrazol-3-yl)methyl]cyclooctane-1-carboxylic acid
CID 82872075
1-(4-methoxyoxan-4-yl)-2-(1-methylpyrazol-3-yl)ethanone
CID 116748665
1-[1-(dimethylamino)cycloheptyl]-2-(4-methylphenyl)ethanone
CID 79075079
1-[1-(dimethylamino)cyclohexyl]-2-(1-propylimidazol-2-yl)ethanone
CID 79744387
2-(1-methylpyrazol-3-yl)-1-(4-phenyloxan-4-yl)ethanone
CID 82869926
1-cyclopropyl-2-(1-methylpyrazol-3-yl)ethanone
CID 82869983
1-(4,4-difluorocyclohexyl)-2-(1-methylpyrazol-3-yl)ethanone
CID 105123784

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone (CID 82869126) is 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone is CN(C)C1(C(=O)Cc2ccn(C)n2)CCCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone?
The InChIKey is DJIKBOYVCWDGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17(2)15(9-6-4-5-7-10-15)14(19)12-13-8-11-18(3)16-13/h8,11H,4-7,9-10,12H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone?
1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cycloheptyl]-2-(1-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 82869126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).