6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine

C13H12Cl2N4 — CID 170427184

IUPAC6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
SMILESCCNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H12Cl2N4/c1-2-16-10-3-9(14)12(15)13-11(10)8(6-17-13)7-4-18-19-5-7/h3-6,16-17H,2H2,1H3,(H,18,19)
InChIKeyDJPNHSBXKYGOGI-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.30
Rot. Bonds3

About 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine

6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine (PubChem CID 170427184) has the molecular formula C13H12Cl2N4 and a molecular weight of 295.17 g/mol. Its IUPAC name is 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine.

Molecular Properties

Compound Name6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
PubChem CID170427184
Molecular FormulaC13H12Cl2N4
Molecular Weight295.17 g/mol
Exact Mass294.04
IUPAC Name6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
SMILESCCNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H12Cl2N4/c1-2-16-10-3-9(14)12(15)13-11(10)8(6-17-13)7-4-18-19-5-7/h3-6,16-17H,2H2,1H3,(H,18,19)
InChIKeyDJPNHSBXKYGOGI-UHFFFAOYSA-N
XLogP4.30
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 337
CID 170427186
US20230391786, Example 219
CID 170427213
US20230391786, Example 263
CID 170427235
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-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The IUPAC name of 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine (CID 170427184) is 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine.
What is the SMILES notation for 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The canonical SMILES for 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine is CCNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12.
What is the InChIKey of 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The InChIKey is DJPNHSBXKYGOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4/c1-2-16-10-3-9(14)12(15)13-11(10)8(6-17-13)7-4-18-19-5-7/h3-6,16-17H,2H2,1H3,(H,18,19).
What are the key properties of 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine has a molecular weight of 295.17 g/mol, XLogP of 4.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-ethyl-3-(1H-pyrazol-4-yl)-1H-indol-4-amine is sourced from PubChem (CID 170427184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).