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

C12H11Cl3N4 — CID 170427316

IUPAC[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C12H10Cl2N4.ClH/c13-8-2-1-7-10(6-4-16-17-5-6)9(3-15)18-12(7)11(8)14;/h1-2,4-5,18H,3,15H2,(H,16,17);1H
InChIKeyYBZSBSRLOPKOLF-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.75
Rot. Bonds2

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

[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride (PubChem CID 170427316) has the molecular formula C12H11Cl3N4 and a molecular weight of 317.61 g/mol. Its IUPAC name is [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride
PubChem CID170427316
Molecular FormulaC12H11Cl3N4
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride
SMILESCl.NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1
InChIInChI=1S/C12H10Cl2N4.ClH/c13-8-2-1-7-10(6-4-16-17-5-6)9(3-15)18-12(7)11(8)14;/h1-2,4-5,18H,3,15H2,(H,16,17);1H
InChIKeyYBZSBSRLOPKOLF-UHFFFAOYSA-N
XLogP3.75
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

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
6-chloro-3-(1-phenylpyrazol-4-yl)-N-[(3R)-pyrrolidin-3-yl]-1H-indazol-5-amine
CID 164617226
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

Frequently Asked Questions

What is the IUPAC name of [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride?
The IUPAC name of [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride (CID 170427316) is [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride?
The canonical SMILES for [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride is Cl.NCc1[nH]c2c(Cl)c(Cl)ccc2c1-c1cn[nH]c1.
What is the InChIKey of [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride?
The InChIKey is YBZSBSRLOPKOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4.ClH/c13-8-2-1-7-10(6-4-16-17-5-6)9(3-15)18-12(7)11(8)14;/h1-2,4-5,18H,3,15H2,(H,16,17);1H.
What are the key properties of [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride?
[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride has a molecular weight of 317.61 g/mol, XLogP of 3.75, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 170427316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).