6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole

C17H13F3N2 — CID 90645463

IUPAC6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1C1CC1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)15-4-2-1-3-12(15)14-7-11-9-21-22-16(11)8-13(14)10-5-6-10/h1-4,7-10H,5-6H2,(H,21,22)
InChIKeyCIACKZWBHIJWSD-UHFFFAOYSA-N
MW302.30 g/mol
LogP5.13
Rot. Bonds2

About 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole

6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645463) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645463
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1C1CC1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)15-4-2-1-3-12(15)14-7-11-9-21-22-16(11)8-13(14)10-5-6-10/h1-4,7-10H,5-6H2,(H,21,22)
InChIKeyCIACKZWBHIJWSD-UHFFFAOYSA-N
XLogP5.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.30
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(trifluoromethyl)-1H-indazole
CID 21455599
4-Methyl-1H-indazole
CID 820806
6-Methyl-1H-indazole
CID 12639191
4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 11687579
4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995479
4-phenyl-6-(trifluoromethyl)-1H-indazole
CID 71735205
4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735375
5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645447
6-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole
CID 90645460
5-[2-(trifluoromethyl)phenyl]-1H-indazole-6-carbonitrile
CID 90645472
6-methyl-4-phenyl-1H-indazole
CID 127046306
5-(Aminomethyl)-1H-indazole
CID 12096223

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645463) is 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole is FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is CIACKZWBHIJWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2/c18-17(19,20)15-4-2-1-3-12(15)14-7-11-9-21-22-16(11)8-13(14)10-5-6-10/h1-4,7-10H,5-6H2,(H,21,22).
What are the key properties of 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 302.30 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).