1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C23H23FN4O2S — CID 38768649

IUPAC1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C23H23FN4O2S/c1-27(14-21(29)25-18-7-3-4-9-20(18)31-2)23(30)22-17-6-5-8-19(17)28(26-22)16-12-10-15(24)11-13-16/h3-4,7,9-13H,5-6,8,14H2,1-2H3,(H,25,29)
InChIKeyFTKPANDGQHANQX-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.93
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 38768649) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID38768649
Molecular FormulaC23H23FN4O2S
Molecular Weight438.53 g/mol
Exact Mass438.15
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)CN(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C23H23FN4O2S/c1-27(14-21(29)25-18-7-3-4-9-20(18)31-2)23(30)22-17-6-5-8-19(17)28(26-22)16-12-10-15(24)11-13-16/h3-4,7,9-13H,5-6,8,14H2,1-2H3,(H,25,29)
InChIKeyFTKPANDGQHANQX-UHFFFAOYSA-N
XLogP3.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide 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-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 38768649) is 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CSc1ccccc1NC(=O)CN(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is FTKPANDGQHANQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-27(14-21(29)25-18-7-3-4-9-20(18)31-2)23(30)22-17-6-5-8-19(17)28(26-22)16-12-10-15(24)11-13-16/h3-4,7,9-13H,5-6,8,14H2,1-2H3,(H,25,29).
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 38768649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).