2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole

C16H11F3N4 — CID 71735063

IUPAC2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole
SMILESCn1cc2c(-c3cc(C(F)(F)F)cc4[nH]ncc34)cccc2n1
InChIInChI=1S/C16H11F3N4/c1-23-8-13-10(3-2-4-14(13)22-23)11-5-9(16(17,18)19)6-15-12(11)7-20-21-15/h2-8H,1H3,(H,20,21)
InChIKeySPYGRDLNWDPRID-UHFFFAOYSA-N
MW316.29 g/mol
LogP4.14
Rot. Bonds1

About 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole

2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole (PubChem CID 71735063) has the molecular formula C16H11F3N4 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole.

Molecular Properties

Compound Name2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole
PubChem CID71735063
Molecular FormulaC16H11F3N4
Molecular Weight316.29 g/mol
Exact Mass316.09
IUPAC Name2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole
SMILESCn1cc2c(-c3cc(C(F)(F)F)cc4[nH]ncc34)cccc2n1
InChIInChI=1S/C16H11F3N4/c1-23-8-13-10(3-2-4-14(13)22-23)11-5-9(16(17,18)19)6-15-12(11)7-20-21-15/h2-8H,1H3,(H,20,21)
InChIKeySPYGRDLNWDPRID-UHFFFAOYSA-N
XLogP4.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole?
The IUPAC name of 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole (CID 71735063) is 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole.
What is the SMILES notation for 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole?
The canonical SMILES for 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole is Cn1cc2c(-c3cc(C(F)(F)F)cc4[nH]ncc34)cccc2n1.
What is the InChIKey of 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole?
The InChIKey is SPYGRDLNWDPRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4/c1-23-8-13-10(3-2-4-14(13)22-23)11-5-9(16(17,18)19)6-15-12(11)7-20-21-15/h2-8H,1H3,(H,20,21).
What are the key properties of 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole?
2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole has a molecular weight of 316.29 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole is sourced from PubChem (CID 71735063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).