2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

C19H21N3O — CID 658201

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
SMILESCc1cc(C)n(CC(=O)n2c3c(c4ccccc42)CCCC3)n1
InChIInChI=1S/C19H21N3O/c1-13-11-14(2)21(20-13)12-19(23)22-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22/h3,5,7,9,11H,4,6,8,10,12H2,1-2H3
InChIKeyQYNLZODMBBQGCT-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.67
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone (PubChem CID 658201) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
PubChem CID658201
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone
SMILESCc1cc(C)n(CC(=O)n2c3c(c4ccccc42)CCCC3)n1
InChIInChI=1S/C19H21N3O/c1-13-11-14(2)21(20-13)12-19(23)22-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22/h3,5,7,9,11H,4,6,8,10,12H2,1-2H3
InChIKeyQYNLZODMBBQGCT-UHFFFAOYSA-N
XLogP3.67
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone 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 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone (CID 658201) is 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone is Cc1cc(C)n(CC(=O)n2c3c(c4ccccc42)CCCC3)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
The InChIKey is QYNLZODMBBQGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-11-14(2)21(20-13)12-19(23)22-17-9-5-3-7-15(17)16-8-4-6-10-18(16)22/h3,5,7,9,11H,4,6,8,10,12H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone has a molecular weight of 307.40 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)ethanone is sourced from PubChem (CID 658201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).