3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole

C18H19Cl2FN2O — CID 15279398

IUPAC3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole
SMILESFc1cc(Cl)c(OC2CCCC2)cc1-n1nc2c(c1Cl)CCCC2
InChIInChI=1S/C18H19Cl2FN2O/c19-13-9-14(21)16(10-17(13)24-11-5-1-2-6-11)23-18(20)12-7-3-4-8-15(12)22-23/h9-11H,1-8H2
InChIKeyCBNJUNGTYQUZAG-UHFFFAOYSA-N
MW369.27 g/mol
LogP5.52
Rot. Bonds3

About 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole

3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole (PubChem CID 15279398) has the molecular formula C18H19Cl2FN2O and a molecular weight of 369.27 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole
PubChem CID15279398
Molecular FormulaC18H19Cl2FN2O
Molecular Weight369.27 g/mol
Exact Mass368.09
IUPAC Name3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole
SMILESFc1cc(Cl)c(OC2CCCC2)cc1-n1nc2c(c1Cl)CCCC2
InChIInChI=1S/C18H19Cl2FN2O/c19-13-9-14(21)16(10-17(13)24-11-5-1-2-6-11)23-18(20)12-7-3-4-8-15(12)22-23/h9-11H,1-8H2
InChIKeyCBNJUNGTYQUZAG-UHFFFAOYSA-N
XLogP5.52
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.27
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole 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 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole (CID 15279398) is 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole is Fc1cc(Cl)c(OC2CCCC2)cc1-n1nc2c(c1Cl)CCCC2.
What is the InChIKey of 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is CBNJUNGTYQUZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O/c19-13-9-14(21)16(10-17(13)24-11-5-1-2-6-11)23-18(20)12-7-3-4-8-15(12)22-23/h9-11H,1-8H2.
What are the key properties of 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole?
3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 369.27 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4-chloro-5-cyclopentyloxy-2-fluorophenyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 15279398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).