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

C18H15F3N2O — CID 90645468

IUPAC6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-13(15)14-7-12-9-22-23-16(12)8-17(14)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23)
InChIKeyBZTMKWCWKFEAKS-UHFFFAOYSA-N
MW332.32 g/mol
LogP5.04
Rot. Bonds4

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

6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645468) has the molecular formula C18H15F3N2O and a molecular weight of 332.32 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645468
Molecular FormulaC18H15F3N2O
Molecular Weight332.32 g/mol
Exact Mass332.11
IUPAC Name6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESFC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-13(15)14-7-12-9-22-23-16(12)8-17(14)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23)
InChIKeyBZTMKWCWKFEAKS-UHFFFAOYSA-N
XLogP5.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645468) is 6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole is FC(F)(F)c1ccccc1-c1cc2cn[nH]c2cc1OCC1CC1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is BZTMKWCWKFEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)15-4-2-1-3-13(15)14-7-12-9-22-23-16(12)8-17(14)24-10-11-5-6-11/h1-4,7-9,11H,5-6,10H2,(H,22,23).
What are the key properties of 6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 332.32 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).