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

C13H11Cl2N3 — CID 170426855

IUPAC6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
SMILESCc1c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c2n1C
InChIInChI=1S/C13H11Cl2N3/c1-7-11(8-5-16-17-6-8)9-3-4-10(14)12(15)13(9)18(7)2/h3-6H,1-2H3,(H,16,17)
InChIKeyFHIUZOASBFLXFP-UHFFFAOYSA-N
MW280.16 g/mol
LogP4.18
Rot. Bonds1

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

6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole (PubChem CID 170426855) has the molecular formula C13H11Cl2N3 and a molecular weight of 280.16 g/mol. Its IUPAC name is 6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole.

Molecular Properties

Compound Name6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
PubChem CID170426855
Molecular FormulaC13H11Cl2N3
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
SMILESCc1c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c2n1C
InChIInChI=1S/C13H11Cl2N3/c1-7-11(8-5-16-17-6-8)9-3-4-10(14)12(15)13(9)18(7)2/h3-6H,1-2H3,(H,16,17)
InChIKeyFHIUZOASBFLXFP-UHFFFAOYSA-N
XLogP4.18
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(6,7-dichloroindazol-1-yl)propan-2-amine
CID 44452809
US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 122
CID 170427066
US20230391786, Example 263
CID 170427235
US20230391786, Example 208
CID 170427473
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620
US20230391786, Example 188
CID 170427672
3-3'-(1H-pyrazole-3,5-diyl)bis(5-chloro-1-methyl-1H-indole)
CID 24779697
US20230391786, Example 20
CID 170426488

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole?
The IUPAC name of 6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole (CID 170426855) is 6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole.
What is the SMILES notation for 6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole?
The canonical SMILES for 6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole is Cc1c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c2n1C.
What is the InChIKey of 6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole?
The InChIKey is FHIUZOASBFLXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3/c1-7-11(8-5-16-17-6-8)9-3-4-10(14)12(15)13(9)18(7)2/h3-6H,1-2H3,(H,16,17).
What are the key properties of 6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole?
6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole has a molecular weight of 280.16 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole is sourced from PubChem (CID 170426855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).