3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole

C14H13Cl2FN2O — CID 13373354

IUPAC3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole
SMILESCOc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl
InChIInChI=1S/C14H13Cl2FN2O/c1-20-13-7-12(10(17)6-9(13)15)19-14(16)8-4-2-3-5-11(8)18-19/h6-7H,2-5H2,1H3
InChIKeyMVTJFPJHZFZVGV-UHFFFAOYSA-N
MW315.18 g/mol
LogP4.21
Rot. Bonds2

About 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole

3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole (PubChem CID 13373354) has the molecular formula C14H13Cl2FN2O and a molecular weight of 315.18 g/mol. Its IUPAC name is 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole
PubChem CID13373354
Molecular FormulaC14H13Cl2FN2O
Molecular Weight315.18 g/mol
Exact Mass314.04
IUPAC Name3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole
SMILESCOc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl
InChIInChI=1S/C14H13Cl2FN2O/c1-20-13-7-12(10(17)6-9(13)15)19-14(16)8-4-2-3-5-11(8)18-19/h6-7H,2-5H2,1H3
InChIKeyMVTJFPJHZFZVGV-UHFFFAOYSA-N
XLogP4.21
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.18
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-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-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole (CID 13373354) is 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole is COc1cc(-n2nc3c(c2Cl)CCCC3)c(F)cc1Cl.
What is the InChIKey of 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is MVTJFPJHZFZVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O/c1-20-13-7-12(10(17)6-9(13)15)19-14(16)8-4-2-3-5-11(8)18-19/h6-7H,2-5H2,1H3.
What are the key properties of 3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole?
3-chloro-2-(4-chloro-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 315.18 g/mol, XLogP of 4.21, 2 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-2-fluoro-5-methoxyphenyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 13373354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).