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

C14H14ClFN2O — CID 18981015

IUPAC3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole
SMILESCOc1ccc(-n2nc3c(c2Cl)CCCC3)c(F)c1
InChIInChI=1S/C14H14ClFN2O/c1-19-9-6-7-13(11(16)8-9)18-14(15)10-4-2-3-5-12(10)17-18/h6-8H,2-5H2,1H3
InChIKeyGXZYIIBVFHETHU-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.55
Rot. Bonds2

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

3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole (PubChem CID 18981015) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole
PubChem CID18981015
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole
SMILESCOc1ccc(-n2nc3c(c2Cl)CCCC3)c(F)c1
InChIInChI=1S/C14H14ClFN2O/c1-19-9-6-7-13(11(16)8-9)18-14(15)10-4-2-3-5-12(10)17-18/h6-8H,2-5H2,1H3
InChIKeyGXZYIIBVFHETHU-UHFFFAOYSA-N
XLogP3.55
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole (CID 18981015) is 3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole is COc1ccc(-n2nc3c(c2Cl)CCCC3)c(F)c1.
What is the InChIKey of 3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole?
The InChIKey is GXZYIIBVFHETHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-19-9-6-7-13(11(16)8-9)18-14(15)10-4-2-3-5-12(10)17-18/h6-8H,2-5H2,1H3.
What are the key properties of 3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole?
3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole has a molecular weight of 280.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-fluoro-4-methoxyphenyl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 18981015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).