7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole

C18H19FN2O — CID 68882173

IUPAC7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole
SMILESCOc1ccc(Cc2[nH]nc3c(C(C)(C)F)cccc23)cc1
InChIInChI=1S/C18H19FN2O/c1-18(2,19)15-6-4-5-14-16(20-21-17(14)15)11-12-7-9-13(22-3)10-8-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyDNBOZVWMQRSGMT-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.37
Rot. Bonds4

About 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole

7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole (PubChem CID 68882173) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole.

Molecular Properties

Compound Name7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole
PubChem CID68882173
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole
SMILESCOc1ccc(Cc2[nH]nc3c(C(C)(C)F)cccc23)cc1
InChIInChI=1S/C18H19FN2O/c1-18(2,19)15-6-4-5-14-16(20-21-17(14)15)11-12-7-9-13(22-3)10-8-12/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyDNBOZVWMQRSGMT-UHFFFAOYSA-N
XLogP4.37
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole?
The IUPAC name of 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole (CID 68882173) is 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole.
What is the SMILES notation for 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole?
The canonical SMILES for 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole is COc1ccc(Cc2[nH]nc3c(C(C)(C)F)cccc23)cc1.
What is the InChIKey of 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole?
The InChIKey is DNBOZVWMQRSGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-18(2,19)15-6-4-5-14-16(20-21-17(14)15)11-12-7-9-13(22-3)10-8-12/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole?
7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole has a molecular weight of 298.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoropropan-2-yl)-3-[(4-methoxyphenyl)methyl]-2H-indazole is sourced from PubChem (CID 68882173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).