7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole

C16H11BrN4 — CID 90489644

IUPAC7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole
SMILESBrc1cccc2c(-c3cnn(-c4ccccc4)c3)n[nH]c12
InChIInChI=1S/C16H11BrN4/c17-14-8-4-7-13-15(19-20-16(13)14)11-9-18-21(10-11)12-5-2-1-3-6-12/h1-10H,(H,19,20)
InChIKeyGVXAIQCKWTUZQW-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.18
Rot. Bonds2

About 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole

7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole (PubChem CID 90489644) has the molecular formula C16H11BrN4 and a molecular weight of 339.20 g/mol. Its IUPAC name is 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Name7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole
PubChem CID90489644
Molecular FormulaC16H11BrN4
Molecular Weight339.20 g/mol
Exact Mass338.02
IUPAC Name7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole
SMILESBrc1cccc2c(-c3cnn(-c4ccccc4)c3)n[nH]c12
InChIInChI=1S/C16H11BrN4/c17-14-8-4-7-13-15(19-20-16(13)14)11-9-18-21(10-11)12-5-2-1-3-6-12/h1-10H,(H,19,20)
InChIKeyGVXAIQCKWTUZQW-UHFFFAOYSA-N
XLogP4.18
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole?
The IUPAC name of 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole (CID 90489644) is 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole.
What is the SMILES notation for 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole?
The canonical SMILES for 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole is Brc1cccc2c(-c3cnn(-c4ccccc4)c3)n[nH]c12.
What is the InChIKey of 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole?
The InChIKey is GVXAIQCKWTUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4/c17-14-8-4-7-13-15(19-20-16(13)14)11-9-18-21(10-11)12-5-2-1-3-6-12/h1-10H,(H,19,20).
What are the key properties of 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole?
7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole has a molecular weight of 339.20 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 90489644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).