6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole

C12H9Cl2N3 — CID 170427914

IUPAC6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole
SMILESCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C12H9Cl2N3/c1-6-10(7-4-15-16-5-7)8-2-3-9(13)11(14)12(8)17-6/h2-5,17H,1H3,(H,15,16)
InChIKeyJFXARHVILRWIDC-UHFFFAOYSA-N
MW266.13 g/mol
LogP4.17
Rot. Bonds1

About 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole

6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole (PubChem CID 170427914) has the molecular formula C12H9Cl2N3 and a molecular weight of 266.13 g/mol. Its IUPAC name is 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole.

Molecular Properties

Compound Name6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole
PubChem CID170427914
Molecular FormulaC12H9Cl2N3
Molecular Weight266.13 g/mol
Exact Mass265.02
IUPAC Name6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole
SMILESCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C12H9Cl2N3/c1-6-10(7-4-15-16-5-7)8-2-3-9(13)11(14)12(8)17-6/h2-5,17H,1H3,(H,15,16)
InChIKeyJFXARHVILRWIDC-UHFFFAOYSA-N
XLogP4.17
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-Chloro-1,2,4,5-tetrahydropyrazolo[3,4-a]carbazole
CID 829981
(2S)-1-(6,7-dichloroindazol-1-yl)propan-2-amine
CID 44452809
6-Chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135453860
8-Chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135453861
13-Chloro-3,4,17-triazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),2(6),4,11(16),12,14-hexaene
CID 136068363
US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 208
CID 170427473
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole?
The IUPAC name of 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole (CID 170427914) is 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole.
What is the SMILES notation for 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole?
The canonical SMILES for 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole is Cc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1.
What is the InChIKey of 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole?
The InChIKey is JFXARHVILRWIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3/c1-6-10(7-4-15-16-5-7)8-2-3-9(13)11(14)12(8)17-6/h2-5,17H,1H3,(H,15,16).
What are the key properties of 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole?
6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole has a molecular weight of 266.13 g/mol, XLogP of 4.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methyl-3-(1H-pyrazol-4-yl)-1H-indole is sourced from PubChem (CID 170427914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).