4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole

C17H15Cl2N4+ — CID 123895130

IUPAC4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole
SMILESCCc1[nH]nc2ccc(C[n+]3cc4c(Cl)cccc4[nH]3)c(Cl)c12
InChIInChI=1S/C17H14Cl2N4/c1-2-13-16-15(21-20-13)7-6-10(17(16)19)8-23-9-11-12(18)4-3-5-14(11)22-23/h3-7,9H,2,8H2,1H3,(H,20,21)/p+1
InChIKeyASOQMZQGXWXQKO-UHFFFAOYSA-O
MW346.24 g/mol
LogP4.25
Rot. Bonds3

About 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole

4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole (PubChem CID 123895130) has the molecular formula C17H15Cl2N4+ and a molecular weight of 346.24 g/mol. Its IUPAC name is 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole.

Molecular Properties

Compound Name4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole
PubChem CID123895130
Molecular FormulaC17H15Cl2N4+
Molecular Weight346.24 g/mol
Exact Mass345.07
IUPAC Name4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole
SMILESCCc1[nH]nc2ccc(C[n+]3cc4c(Cl)cccc4[nH]3)c(Cl)c12
InChIInChI=1S/C17H14Cl2N4/c1-2-13-16-15(21-20-13)7-6-10(17(16)19)8-23-9-11-12(18)4-3-5-14(11)22-23/h3-7,9H,2,8H2,1H3,(H,20,21)/p+1
InChIKeyASOQMZQGXWXQKO-UHFFFAOYSA-O
XLogP4.25
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)methanimine
CID 77844770
N-(5,6-dichloro-3-pyridinyl)-1-(1H-indazol-5-yl)methanimine
CID 77844771
5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazole
CID 25165861
5-(1-(3-methylbenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166053
5-(1-(2-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166056
5-(1-(3-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166057
5-(1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166058
5-(1-(2-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166059
5-(1-(3-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166250
5-(1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166251
5-(1-(2,3-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166657
5-(1-(2,5-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)-1H-indazole
CID 25166659

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole?
The IUPAC name of 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole (CID 123895130) is 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole.
What is the SMILES notation for 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole?
The canonical SMILES for 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole is CCc1[nH]nc2ccc(C[n+]3cc4c(Cl)cccc4[nH]3)c(Cl)c12.
What is the InChIKey of 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole?
The InChIKey is ASOQMZQGXWXQKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H14Cl2N4/c1-2-13-16-15(21-20-13)7-6-10(17(16)19)8-23-9-11-12(18)4-3-5-14(11)22-23/h3-7,9H,2,8H2,1H3,(H,20,21)/p+1.
What are the key properties of 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole?
4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole has a molecular weight of 346.24 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(4-chloro-1H-indazol-2-ium-2-yl)methyl]-3-ethyl-2H-indazole is sourced from PubChem (CID 123895130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).