5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane

C86H113Cl2F2N11S — CID 158795991

IUPAC5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane
SMILESC.C.C=C1Cc2cc(C(C)(C)C)cc(C)c2N1.C=C1Cc2cc(C(C)(C)C)cc(Cl)c2N1.C=C1Nc2ccc(C(C)(C)C)cc2S1.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1cc(F)c2[nH]ncc2c1.CC(C)(C)c1ccc2n[nH]c(F)c2c1.Cc1cc(C(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C14H19N.C13H16ClN.C12H16N2.C12H15NS.C11H13ClN2.2C11H13FN2.2CH4/c1-9-6-12(14(3,4)5)8-11-7-10(2)15-13(9)11;1-8-5-9-6-10(13(2,3)4)7-11(14)12(9)15-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;2*1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;;/h6,8,15H,2,7H2,1,3-5H3;6-7,15H,1,5H2,2-4H3;5-7H,1-4H3,(H,13,14);5-7,13H,1H2,2-4H3;3*4-6H,1-3H3,(H,13,14);2*1H4
InChIKeyISWGMPXMDJHJLR-UHFFFAOYSA-N
MW1441.90 g/mol
LogP25.82
Rot. Bonds

About 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane

5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane (PubChem CID 158795991) has the molecular formula C86H113Cl2F2N11S and a molecular weight of 1441.90 g/mol. Its IUPAC name is 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane.

Molecular Properties

Compound Name5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane
PubChem CID158795991
Molecular FormulaC86H113Cl2F2N11S
Molecular Weight1441.90 g/mol
Exact Mass1439.82
IUPAC Name5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane
SMILESC.C.C=C1Cc2cc(C(C)(C)C)cc(C)c2N1.C=C1Cc2cc(C(C)(C)C)cc(Cl)c2N1.C=C1Nc2ccc(C(C)(C)C)cc2S1.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1cc(F)c2[nH]ncc2c1.CC(C)(C)c1ccc2n[nH]c(F)c2c1.Cc1cc(C(C)(C)C)cc2cn[nH]c12
InChIInChI=1S/C14H19N.C13H16ClN.C12H16N2.C12H15NS.C11H13ClN2.2C11H13FN2.2CH4/c1-9-6-12(14(3,4)5)8-11-7-10(2)15-13(9)11;1-8-5-9-6-10(13(2,3)4)7-11(14)12(9)15-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;2*1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;;/h6,8,15H,2,7H2,1,3-5H3;6-7,15H,1,5H2,2-4H3;5-7H,1-4H3,(H,13,14);5-7,13H,1H2,2-4H3;3*4-6H,1-3H3,(H,13,14);2*1H4
InChIKeyISWGMPXMDJHJLR-UHFFFAOYSA-N
XLogP25.82
TPSA150.81 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001441.90
LogP ≤ 525.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane?
The IUPAC name of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane (CID 158795991) is 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane.
What is the SMILES notation for 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane?
The canonical SMILES for 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane is C.C.C=C1Cc2cc(C(C)(C)C)cc(C)c2N1.C=C1Cc2cc(C(C)(C)C)cc(Cl)c2N1.C=C1Nc2ccc(C(C)(C)C)cc2S1.CC(C)(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)(C)c1cc(F)c2[nH]ncc2c1.CC(C)(C)c1ccc2n[nH]c(F)c2c1.Cc1cc(C(C)(C)C)cc2cn[nH]c12.
What is the InChIKey of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane?
The InChIKey is ISWGMPXMDJHJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C13H16ClN.C12H16N2.C12H15NS.C11H13ClN2.2C11H13FN2.2CH4/c1-9-6-12(14(3,4)5)8-11-7-10(2)15-13(9)11;1-8-5-9-6-10(13(2,3)4)7-11(14)12(9)15-8;1-8-5-10(12(2,3)4)6-9-7-13-14-11(8)9;1-8-13-10-6-5-9(12(2,3)4)7-11(10)14-8;2*1-11(2,3)8-4-7-6-13-14-10(7)9(12)5-8;1-11(2,3)7-4-5-9-8(6-7)10(12)14-13-9;;/h6,8,15H,2,7H2,1,3-5H3;6-7,15H,1,5H2,2-4H3;5-7H,1-4H3,(H,13,14);5-7,13H,1H2,2-4H3;3*4-6H,1-3H3,(H,13,14);2*1H4.
What are the key properties of 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane?
5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane has a molecular weight of 1441.90 g/mol, XLogP of 25.82, 0 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-7-chloro-1H-indazole;5-tert-butyl-7-chloro-2-methylidene-1,3-dihydroindole;5-tert-butyl-3-fluoro-2H-indazole;5-tert-butyl-7-fluoro-1H-indazole;6-tert-butyl-2-methylidene-3H-1,3-benzothiazole;5-tert-butyl-7-methyl-1H-indazole;5-tert-butyl-7-methyl-2-methylidene-1,3-dihydroindole;methane is sourced from PubChem (CID 158795991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).