5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole

C19H14Br2Cl2N6 — CID 157435274

IUPAC5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
SMILESClc1c(Br)ccc2[nH]ncc12.Cn1ccc(Cn2cc3c(Cl)c(Br)ccc3n2)n1
InChIInChI=1S/C12H10BrClN4.C7H4BrClN2/c1-17-5-4-8(15-17)6-18-7-9-11(16-18)3-2-10(13)12(9)14;8-5-1-2-6-4(7(5)9)3-10-11-6/h2-5,7H,6H2,1H3;1-3H,(H,10,11)
InChIKeyBRAGKOZDXHSWNM-UHFFFAOYSA-N
MW557.08 g/mol
LogP6.21
Rot. Bonds2

About 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole

5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole (PubChem CID 157435274) has the molecular formula C19H14Br2Cl2N6 and a molecular weight of 557.08 g/mol. Its IUPAC name is 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole.

Molecular Properties

Compound Name5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
PubChem CID157435274
Molecular FormulaC19H14Br2Cl2N6
Molecular Weight557.08 g/mol
Exact Mass553.90
IUPAC Name5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole
SMILESClc1c(Br)ccc2[nH]ncc12.Cn1ccc(Cn2cc3c(Cl)c(Br)ccc3n2)n1
InChIInChI=1S/C12H10BrClN4.C7H4BrClN2/c1-17-5-4-8(15-17)6-18-7-9-11(16-18)3-2-10(13)12(9)14;8-5-1-2-6-4(7(5)9)3-10-11-6/h2-5,7H,6H2,1H3;1-3H,(H,10,11)
InChIKeyBRAGKOZDXHSWNM-UHFFFAOYSA-N
XLogP6.21
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.08
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-bromo-4-fluoro-1H-indazole;5-bromo-4-fluoro-2-methylindazole
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5-bromo-4-chloro-2-ethylindazole;5-bromo-4-chloro-1H-indazole
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5-bromo-4-chloro-1H-indazole;2-(5-bromo-4-chloroindazol-2-yl)-N,N-dimethylacetamide
CID 157744864

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole?
The IUPAC name of 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole (CID 157435274) is 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole.
What is the SMILES notation for 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole?
The canonical SMILES for 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole is Clc1c(Br)ccc2[nH]ncc12.Cn1ccc(Cn2cc3c(Cl)c(Br)ccc3n2)n1.
What is the InChIKey of 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole?
The InChIKey is BRAGKOZDXHSWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN4.C7H4BrClN2/c1-17-5-4-8(15-17)6-18-7-9-11(16-18)3-2-10(13)12(9)14;8-5-1-2-6-4(7(5)9)3-10-11-6/h2-5,7H,6H2,1H3;1-3H,(H,10,11).
What are the key properties of 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole?
5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole has a molecular weight of 557.08 g/mol, XLogP of 6.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1H-indazole;5-bromo-4-chloro-2-[(1-methylpyrazol-3-yl)methyl]indazole is sourced from PubChem (CID 157435274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).