7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone

C16H25N3O2 — CID 115803154

IUPAC7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)C1C2CCCCC21
InChIInChI=1S/C16H25N3O2/c1-18(2)8-9-19-15(13(21-3)10-17-19)16(20)14-11-6-4-5-7-12(11)14/h10-12,14H,4-9H2,1-3H3
InChIKeyXIFFOAUJQGSHMN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.07
Rot. Bonds6

About 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone

7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone (PubChem CID 115803154) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
PubChem CID115803154
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone
SMILESCOc1cnn(CCN(C)C)c1C(=O)C1C2CCCCC21
InChIInChI=1S/C16H25N3O2/c1-18(2)8-9-19-15(13(21-3)10-17-19)16(20)14-11-6-4-5-7-12(11)14/h10-12,14H,4-9H2,1-3H3
InChIKeyXIFFOAUJQGSHMN-UHFFFAOYSA-N
XLogP2.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-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

Related Compounds

7-bicyclo[4.1.0]heptanyl-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 115804218
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(oxan-3-yl)methanone
CID 114640631
7-bicyclo[4.1.0]heptanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809603
6-bicyclo[3.1.0]hexanyl-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 115809767
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methoxyethanone
CID 114639516
2-(dimethylamino)-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylpropan-1-one
CID 114641063
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxypropan-1-one
CID 114639473
2-amino-1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]propan-1-one
CID 114668269
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-methoxythiophen-2-yl)methanone
CID 115803118
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(oxolan-3-yl)ethanone
CID 114642300
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(2-methylpropylsulfanyl)ethanone
CID 114640484

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone (CID 115803154) is 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone is COc1cnn(CCN(C)C)c1C(=O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone?
The InChIKey is XIFFOAUJQGSHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18(2)8-9-19-15(13(21-3)10-17-19)16(20)14-11-6-4-5-7-12(11)14/h10-12,14H,4-9H2,1-3H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone?
7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone has a molecular weight of 291.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]methanone is sourced from PubChem (CID 115803154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).