[2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate

C26H21N3O3 — CID 55648854

IUPAC[2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cnn1-c1ccccn1
InChIInChI=1S/C26H21N3O3/c1-2-23-22(15-28-29(23)25-9-5-6-12-27-25)26(31)32-16-24(30)19-11-10-18-13-17-7-3-4-8-20(17)21(18)14-19/h3-12,14-15H,2,13,16H2,1H3
InChIKeyMCXMXASKEMIMEC-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.44
Rot. Bonds6

About [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate

[2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate (PubChem CID 55648854) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
PubChem CID55648854
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name[2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
SMILESCCc1c(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cnn1-c1ccccn1
InChIInChI=1S/C26H21N3O3/c1-2-23-22(15-28-29(23)25-9-5-6-12-27-25)26(31)32-16-24(30)19-11-10-18-13-17-7-3-4-8-20(17)21(18)14-19/h3-12,14-15H,2,13,16H2,1H3
InChIKeyMCXMXASKEMIMEC-UHFFFAOYSA-N
XLogP4.44
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate 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

(2-oxo-2-piperidin-1-ylethyl) 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648945
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2445435
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55641393
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648943
[2-(9H-fluoren-3-yl)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7502110
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7859801
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523919
[2-(9H-fluoren-3-yl)-2-oxoethyl] 3-bromobenzoate
CID 7662912
[2-(2-benzylanilino)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648975
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-ethyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 38027002
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 7825922
[2-(9H-fluoren-3-yl)-2-oxoethyl] 2,6-dichlorobenzoate
CID 7723570

Frequently Asked Questions

What is the IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The IUPAC name of [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate (CID 55648854) is [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate is CCc1c(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cnn1-c1ccccn1.
What is the InChIKey of [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
The InChIKey is MCXMXASKEMIMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c1-2-23-22(15-28-29(23)25-9-5-6-12-27-25)26(31)32-16-24(30)19-11-10-18-13-17-7-3-4-8-20(17)21(18)14-19/h3-12,14-15H,2,13,16H2,1H3.
What are the key properties of [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate?
[2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(9H-fluoren-3-yl)-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 55648854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).