4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole

C15H13FN2 — CID 164894380

IUPAC4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole
SMILESCc1ccc(-c2cc(F)c3c(C)[nH]nc3c2)cc1
InChIInChI=1S/C15H13FN2/c1-9-3-5-11(6-4-9)12-7-13(16)15-10(2)17-18-14(15)8-12/h3-8H,1-2H3,(H,17,18)
InChIKeyDVSBULPNAXTTTD-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.99
Rot. Bonds1

About 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole

4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole (PubChem CID 164894380) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole.

Molecular Properties

Compound Name4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole
PubChem CID164894380
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole
SMILESCc1ccc(-c2cc(F)c3c(C)[nH]nc3c2)cc1
InChIInChI=1S/C15H13FN2/c1-9-3-5-11(6-4-9)12-7-13(16)15-10(2)17-18-14(15)8-12/h3-8H,1-2H3,(H,17,18)
InChIKeyDVSBULPNAXTTTD-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole?
The IUPAC name of 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole (CID 164894380) is 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole.
What is the SMILES notation for 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole?
The canonical SMILES for 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole is Cc1ccc(-c2cc(F)c3c(C)[nH]nc3c2)cc1.
What is the InChIKey of 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole?
The InChIKey is DVSBULPNAXTTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-9-3-5-11(6-4-9)12-7-13(16)15-10(2)17-18-14(15)8-12/h3-8H,1-2H3,(H,17,18).
What are the key properties of 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole?
4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole has a molecular weight of 240.28 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-6-(4-methylphenyl)-2H-indazole is sourced from PubChem (CID 164894380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).