[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone

C16H27N3O — CID 79074268

IUPAC[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H27N3O/c1-4-13-19-14(9-12-17-19)15(20)16(18(2)3)10-7-5-6-8-11-16/h9,12H,4-8,10-11,13H2,1-3H3
InChIKeyXXMYNODDWFAWQI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.13
Rot. Bonds5

About [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone

[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone (PubChem CID 79074268) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
PubChem CID79074268
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)C1(N(C)C)CCCCCC1
InChIInChI=1S/C16H27N3O/c1-4-13-19-14(9-12-17-19)15(20)16(18(2)3)10-7-5-6-8-11-16/h9,12H,4-8,10-11,13H2,1-3H3
InChIKeyXXMYNODDWFAWQI-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone (CID 79074268) is [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)C1(N(C)C)CCCCCC1.
What is the InChIKey of [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone?
The InChIKey is XXMYNODDWFAWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-13-19-14(9-12-17-19)15(20)16(18(2)3)10-7-5-6-8-11-16/h9,12H,4-8,10-11,13H2,1-3H3.
What are the key properties of [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone?
[1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone has a molecular weight of 277.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cycloheptyl]-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 79074268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).