1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole

C72H80N16 — CID 157358686

IUPAC1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole
SMILESCc1[nH]nc2c(C)cccc12.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1cccc2c1cnn2C.Cc1cccc2cnn(C)c12.Cc1cccc2n[nH]c(C)c12
InChIInChI=1S/8C9H10N2/c1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-7(2)10-11-9(8)5-6;1-7-4-3-5-9-8(7)6-10-11(9)2;1-7-4-3-5-8-6-10-11(2)9(7)8;1-6-4-3-5-8-9(6)7(2)10-11-8;1-6-4-3-5-8-7(2)10-11-9(6)8/h2*3-6H,1-2H3;2*3-5H,1-2H3,(H,10,11);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,10,11)
InChIKeyBIJPHCZCEIEHPV-UHFFFAOYSA-N
MW1169.54 g/mol
LogP16.25
Rot. Bonds

About 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole

1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole (PubChem CID 157358686) has the molecular formula C72H80N16 and a molecular weight of 1169.54 g/mol. Its IUPAC name is 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole.

Molecular Properties

Compound Name1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole
PubChem CID157358686
Molecular FormulaC72H80N16
Molecular Weight1169.54 g/mol
Exact Mass1168.68
IUPAC Name1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole
SMILESCc1[nH]nc2c(C)cccc12.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1cccc2c1cnn2C.Cc1cccc2cnn(C)c12.Cc1cccc2n[nH]c(C)c12
InChIInChI=1S/8C9H10N2/c1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-7(2)10-11-9(8)5-6;1-7-4-3-5-9-8(7)6-10-11(9)2;1-7-4-3-5-8-6-10-11(2)9(7)8;1-6-4-3-5-8-9(6)7(2)10-11-8;1-6-4-3-5-8-7(2)10-11-9(6)8/h2*3-6H,1-2H3;2*3-5H,1-2H3,(H,10,11);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,10,11)
InChIKeyBIJPHCZCEIEHPV-UHFFFAOYSA-N
XLogP16.25
TPSA186.00 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001169.54
LogP ≤ 516.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole with MolForge

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Related Compounds

3,5-bis(1-benzyltriazol-4-yl)-1H-indazole
CID 25164271
US10722495, Example 48
CID 137545034
US11420958, Ex. No. 395
CID 156190816
6-(1-methylpyrazol-4-yl)-4-phenyl-1H-indazole
CID 127047126
2-methyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole
CID 71735063
1-methyl-6-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole
CID 71735376
1-methyl-5-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole
CID 89794786
1,3-dimethyl-6-[6-(trifluoromethyl)-1H-indazol-4-yl]indazole
CID 89794797
6-[2-(4-fluoro-3-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-indazole
CID 122589935
4-tert-butyl-1-[2-(6-fluoro-1H-indazol-7-yl)-2-methylpropyl]-3,5-dimethylindazole
CID 126494292
4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-piperidin-4-ylindazole
CID 142760490
4-(4-fluorophenyl)-5-(1H-indazol-5-yl)-1-[3-(4-methylpiperazin-1-yl)propyl]indazole
CID 142763267

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole?
The IUPAC name of 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole (CID 157358686) is 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole.
What is the SMILES notation for 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole?
The canonical SMILES for 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole is Cc1[nH]nc2c(C)cccc12.Cc1ccc2c(C)[nH]nc2c1.Cc1ccc2c(cnn2C)c1.Cc1ccc2cnn(C)c2c1.Cc1ccc2n[nH]c(C)c2c1.Cc1cccc2c1cnn2C.Cc1cccc2cnn(C)c12.Cc1cccc2n[nH]c(C)c12.
What is the InChIKey of 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole?
The InChIKey is BIJPHCZCEIEHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/8C9H10N2/c1-7-3-4-9-8(5-7)6-10-11(9)2;1-7-3-4-8-6-10-11(2)9(8)5-7;1-6-3-4-9-8(5-6)7(2)10-11-9;1-6-3-4-8-7(2)10-11-9(8)5-6;1-7-4-3-5-9-8(7)6-10-11(9)2;1-7-4-3-5-8-6-10-11(2)9(7)8;1-6-4-3-5-8-9(6)7(2)10-11-8;1-6-4-3-5-8-7(2)10-11-9(6)8/h2*3-6H,1-2H3;2*3-5H,1-2H3,(H,10,11);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,10,11).
What are the key properties of 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole?
1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole has a molecular weight of 1169.54 g/mol, XLogP of 16.25, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylindazole;1,5-dimethylindazole;1,6-dimethylindazole;1,7-dimethylindazole;3,4-dimethyl-2H-indazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,7-dimethyl-2H-indazole is sourced from PubChem (CID 157358686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).