1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole

C66H75ClFN7 — CID 157403006

IUPAC1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole
SMILESCCCc1c[nH]c2ccc(C)cc12.CCc1c[nH]c2ccc(C)cc12.Cc1ccc2[nH]cc(C)c2c1.Cc1ccc2c(c1)c(C)nn2C.Cc1ccc2n[nH]c(C)c2c1.Cc1ccccc1Cl.Cc1ccccc1F
InChIInChI=1S/C12H15N.C11H13N.C10H12N2.C10H11N.C9H10N2.C7H7Cl.C7H7F/c1-3-4-10-8-13-12-6-5-9(2)7-11(10)12;1-3-9-7-12-11-5-4-8(2)6-10(9)11;1-7-4-5-10-9(6-7)8(2)11-12(10)3;1-7-3-4-10-9(5-7)8(2)6-11-10;1-6-3-4-9-8(5-6)7(2)10-11-9;2*1-6-4-2-3-5-7(6)8/h5-8,13H,3-4H2,1-2H3;4-7,12H,3H2,1-2H3;4-6H,1-3H3;3-6,11H,1-2H3;3-5H,1-2H3,(H,10,11);2*2-5H,1H3
InChIKeyBNJURTWNXHOJLE-UHFFFAOYSA-N
MW1020.83 g/mol
LogP18.40
Rot. Bonds3

About 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole

1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole (PubChem CID 157403006) has the molecular formula C66H75ClFN7 and a molecular weight of 1020.83 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole
PubChem CID157403006
Molecular FormulaC66H75ClFN7
Molecular Weight1020.83 g/mol
Exact Mass1019.58
IUPAC Name1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole
SMILESCCCc1c[nH]c2ccc(C)cc12.CCc1c[nH]c2ccc(C)cc12.Cc1ccc2[nH]cc(C)c2c1.Cc1ccc2c(c1)c(C)nn2C.Cc1ccc2n[nH]c(C)c2c1.Cc1ccccc1Cl.Cc1ccccc1F
InChIInChI=1S/C12H15N.C11H13N.C10H12N2.C10H11N.C9H10N2.C7H7Cl.C7H7F/c1-3-4-10-8-13-12-6-5-9(2)7-11(10)12;1-3-9-7-12-11-5-4-8(2)6-10(9)11;1-7-4-5-10-9(6-7)8(2)11-12(10)3;1-7-3-4-10-9(5-7)8(2)6-11-10;1-6-3-4-9-8(5-6)7(2)10-11-9;2*1-6-4-2-3-5-7(6)8/h5-8,13H,3-4H2,1-2H3;4-7,12H,3H2,1-2H3;4-6H,1-3H3;3-6,11H,1-2H3;3-5H,1-2H3,(H,10,11);2*2-5H,1H3
InChIKeyBNJURTWNXHOJLE-UHFFFAOYSA-N
XLogP18.40
TPSA93.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001020.83
LogP ≤ 518.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole with MolForge

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Related Compounds

4-[5-[(2-chloro-4-fluorophenyl)methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 145744894
3-[4-chloro-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine
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3-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-(2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
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1-(4-fluorophenyl)-3-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]-5-(2-methylpyrazol-3-yl)indole
CID 10174659
1-(4-fluorophenyl)-3-[1-[3-(1H-indol-3-yl)propyl]piperidin-4-yl]-5-(1-methylpyrazol-4-yl)indole
CID 10289505
2-(2-Chloro-5-fluoro-phenyl)-5-(2-methyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-1H-indole
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2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1H-indole
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2-(2-chloro-4-fluorophenyl)-5-(1-methyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole
CID 51036466
2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-(pyrazin-2-yl)-1H-pyrazol-5-yl)-1H-indole
CID 51036879
2-(2-Chloro-6-fluoro-phenyl)-5-(2-methyl-5-pyridin-4-yl-2H-pyrazol-3-yl)-1H-indole
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2-(2-chloro-6-fluorophenyl)-5-(1-ethyl-3-pyridin-3-ylpyrazol-5-yl)-1H-indole
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole?
The IUPAC name of 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole (CID 157403006) is 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole.
What is the SMILES notation for 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole?
The canonical SMILES for 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole is CCCc1c[nH]c2ccc(C)cc12.CCc1c[nH]c2ccc(C)cc12.Cc1ccc2[nH]cc(C)c2c1.Cc1ccc2c(c1)c(C)nn2C.Cc1ccc2n[nH]c(C)c2c1.Cc1ccccc1Cl.Cc1ccccc1F.
What is the InChIKey of 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole?
The InChIKey is BNJURTWNXHOJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N.C11H13N.C10H12N2.C10H11N.C9H10N2.C7H7Cl.C7H7F/c1-3-4-10-8-13-12-6-5-9(2)7-11(10)12;1-3-9-7-12-11-5-4-8(2)6-10(9)11;1-7-4-5-10-9(6-7)8(2)11-12(10)3;1-7-3-4-10-9(5-7)8(2)6-11-10;1-6-3-4-9-8(5-6)7(2)10-11-9;2*1-6-4-2-3-5-7(6)8/h5-8,13H,3-4H2,1-2H3;4-7,12H,3H2,1-2H3;4-6H,1-3H3;3-6,11H,1-2H3;3-5H,1-2H3,(H,10,11);2*2-5H,1H3.
What are the key properties of 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole?
1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole has a molecular weight of 1020.83 g/mol, XLogP of 18.40, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;3-ethyl-5-methyl-1H-indole;1-fluoro-2-methylbenzene;5-methyl-3-propyl-1H-indole;1,3,5-trimethylindazole is sourced from PubChem (CID 157403006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).