5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine

C156H201ClF3N27O2 — CID 157060853

IUPAC5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine
SMILESCC(C)(C)c1cc2cn[nH]c2cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1F.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1Cl.CC(C)(C)c1ccc2[nH]ncc2c1F.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cn[nH]c1.CN(C)CCOc1cc(-c2cn[nH]c2)ccc1C(C)(C)C.COc1cc(-c2cn[nH]c2)ccc1C(C)(C)C.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1c(C(C)(C)C)ccc2[nH]ncc12
InChIInChI=1S/C17H25N3O.C14H18N2O.C13H15FN2.2C13H16N2.2C12H16N2.C11H13ClN2.2C11H13FN2.2C11H14N2.C7H12N2/c1-17(2,3)15-7-6-13(14-11-18-19-12-14)10-16(15)21-9-8-20(4)5;1-14(2,3)12-6-5-10(7-13(12)17-4)11-8-15-16-9-11;1-13(2,3)11-5-4-9(6-12(11)14)10-7-15-16-8-10;1-13(2,3)12-6-4-10(5-7-12)11-8-14-15-9-11;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-8-9-7-13-14-11(9)6-5-10(8)12(2,3)4;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)8-4-7-6-13-14-10(7)5-9(8)12;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-7(2,3)6-4-8-9-5-6/h6-7,10-12H,8-9H2,1-5H3,(H,18,19);5-9H,1-4H3,(H,15,16);4-8H,1-3H3,(H,15,16);2*4-9H,1-3H3,(H,14,15);2*5-7H,1-4H3,(H,13,14);3*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H,8,9)
InChIKeyABHVUQPBXHYXIP-UHFFFAOYSA-N
MW2578.96 g/mol
LogP40.24
Rot. Bonds10

About 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine

5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine (PubChem CID 157060853) has the molecular formula C156H201ClF3N27O2 and a molecular weight of 2578.96 g/mol. Its IUPAC name is 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine
PubChem CID157060853
Molecular FormulaC156H201ClF3N27O2
Molecular Weight2578.96 g/mol
Exact Mass2576.61
IUPAC Name5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine
SMILESCC(C)(C)c1cc2cn[nH]c2cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1F.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1Cl.CC(C)(C)c1ccc2[nH]ncc2c1F.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cn[nH]c1.CN(C)CCOc1cc(-c2cn[nH]c2)ccc1C(C)(C)C.COc1cc(-c2cn[nH]c2)ccc1C(C)(C)C.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1c(C(C)(C)C)ccc2[nH]ncc12
InChIInChI=1S/C17H25N3O.C14H18N2O.C13H15FN2.2C13H16N2.2C12H16N2.C11H13ClN2.2C11H13FN2.2C11H14N2.C7H12N2/c1-17(2,3)15-7-6-13(14-11-18-19-12-14)10-16(15)21-9-8-20(4)5;1-14(2,3)12-6-5-10(7-13(12)17-4)11-8-15-16-9-11;1-13(2,3)11-5-4-9(6-12(11)14)10-7-15-16-8-10;1-13(2,3)12-6-4-10(5-7-12)11-8-14-15-9-11;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-8-9-7-13-14-11(9)6-5-10(8)12(2,3)4;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)8-4-7-6-13-14-10(7)5-9(8)12;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-7(2,3)6-4-8-9-5-6/h6-7,10-12H,8-9H2,1-5H3,(H,18,19);5-9H,1-4H3,(H,15,16);4-8H,1-3H3,(H,15,16);2*4-9H,1-3H3,(H,14,15);2*5-7H,1-4H3,(H,13,14);3*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H,8,9)
InChIKeyABHVUQPBXHYXIP-UHFFFAOYSA-N
XLogP40.24
TPSA394.54 Ų
H-Bond Donors13
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms189
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002578.96
LogP ≤ 540.24
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1016

Analyze 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine (CID 157060853) is 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine is CC(C)(C)c1cc2cn[nH]c2cc1F.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1.CC(C)(C)c1ccc(-c2cn[nH]c2)cc1F.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2[nH]ncc2c1Cl.CC(C)(C)c1ccc2[nH]ncc2c1F.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc(-c2cn[nH]c2)c1.CC(C)(C)c1cn[nH]c1.CN(C)CCOc1cc(-c2cn[nH]c2)ccc1C(C)(C)C.COc1cc(-c2cn[nH]c2)ccc1C(C)(C)C.Cc1[nH]nc2ccc(C(C)(C)C)cc12.Cc1c(C(C)(C)C)ccc2[nH]ncc12.
What is the InChIKey of 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is ABHVUQPBXHYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.C14H18N2O.C13H15FN2.2C13H16N2.2C12H16N2.C11H13ClN2.2C11H13FN2.2C11H14N2.C7H12N2/c1-17(2,3)15-7-6-13(14-11-18-19-12-14)10-16(15)21-9-8-20(4)5;1-14(2,3)12-6-5-10(7-13(12)17-4)11-8-15-16-9-11;1-13(2,3)11-5-4-9(6-12(11)14)10-7-15-16-8-10;1-13(2,3)12-6-4-10(5-7-12)11-8-14-15-9-11;1-13(2,3)12-6-4-5-10(7-12)11-8-14-15-9-11;1-8-9-7-13-14-11(9)6-5-10(8)12(2,3)4;1-8-10-7-9(12(2,3)4)5-6-11(10)14-13-8;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)8-4-7-6-13-14-10(7)5-9(8)12;1-11(2,3)8-4-5-9-7(10(8)12)6-13-14-9;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-7(2,3)6-4-8-9-5-6/h6-7,10-12H,8-9H2,1-5H3,(H,18,19);5-9H,1-4H3,(H,15,16);4-8H,1-3H3,(H,15,16);2*4-9H,1-3H3,(H,14,15);2*5-7H,1-4H3,(H,13,14);3*4-6H,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13);4-5H,1-3H3,(H,8,9).
What are the key properties of 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine?
5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 2578.96 g/mol, XLogP of 40.24, 10 rotatable bonds, 13 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-chloro-1H-indazole;5-tert-butyl-4-fluoro-1H-indazole;5-tert-butyl-6-fluoro-1H-indazole;4-(4-tert-butyl-3-fluorophenyl)-1H-pyrazole;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;4-(4-tert-butyl-3-methoxyphenyl)-1H-pyrazole;5-tert-butyl-3-methyl-2H-indazole;5-tert-butyl-4-methyl-1H-indazole;4-(3-tert-butylphenyl)-1H-pyrazole;4-(4-tert-butylphenyl)-1H-pyrazole;4-tert-butyl-1H-pyrazole;2-[2-tert-butyl-5-(1H-pyrazol-4-yl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 157060853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).