[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine

C13H12Cl2N4 — CID 170426868

IUPAC[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine
SMILESCn1c(CN)c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C13H12Cl2N4/c1-19-10(4-16)11(7-5-17-18-6-7)8-2-3-9(14)12(15)13(8)19/h2-3,5-6H,4,16H2,1H3,(H,17,18)
InChIKeyJEEYIHRIBZTMEM-UHFFFAOYSA-N
MW295.17 g/mol
LogP3.33
Rot. Bonds2

About [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine

[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine (PubChem CID 170426868) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine.

Molecular Properties

Compound Name[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine
PubChem CID170426868
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC Name[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine
SMILESCn1c(CN)c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C13H12Cl2N4/c1-19-10(4-16)11(7-5-17-18-6-7)8-2-3-9(14)12(15)13(8)19/h2-3,5-6H,4,16H2,1H3,(H,17,18)
InChIKeyJEEYIHRIBZTMEM-UHFFFAOYSA-N
XLogP3.33
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6,7-dichloro-1,3-dimethylindol-2-yl)methanamine
CID 83868326
6,7-dichloro-10-(1H-pyrazol-4-yl)-2,4-dihydro-1H-pyrazino[1,2-a]indol-3-one
CID 170426767
6,7-dichloro-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170427637
2-amino-1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone;hydrochloride
CID 170426674
6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrimido[1,2-a]indol-2-one
CID 170427165
6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
CID 170610050
1-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
CID 170610201
7,8-dichloro-N-methyl-4-(1H-pyrazol-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine;2-hydroxyacetaldehyde
CID 170609984
N-[4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutyl]-N-(2-hydroxyethyl)acetamide
CID 170609884
6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indole
CID 170427328
[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-(4-methylmorpholin-3-yl)methanone
CID 170427444
3-[[3,4-dichloro-10-(1H-pyrazol-4-yl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-yl]sulfamoyl]-N-methylpropanamide
CID 170427719

Frequently Asked Questions

What is the IUPAC name of [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine?
The IUPAC name of [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine (CID 170426868) is [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine.
What is the SMILES notation for [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine?
The canonical SMILES for [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine is Cn1c(CN)c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine?
The InChIKey is JEEYIHRIBZTMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/c1-19-10(4-16)11(7-5-17-18-6-7)8-2-3-9(14)12(15)13(8)19/h2-3,5-6H,4,16H2,1H3,(H,17,18).
What are the key properties of [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine?
[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine has a molecular weight of 295.17 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methanamine is sourced from PubChem (CID 170426868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).