5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane

C18H18Br2N4 — CID 142559439

IUPAC5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2C2CC2)c1.C
InChIInChI=1S/C10H9BrN2.C7H5BrN2.CH4/c11-8-1-4-10-7(5-8)6-12-13(10)9-2-3-9;8-6-1-2-7-5(3-6)4-9-10-7;/h1,4-6,9H,2-3H2;1-4H,(H,9,10);1H4
InChIKeyNUAZHXFIRWZMHX-UHFFFAOYSA-N
MW450.18 g/mol
LogP6.10
Rot. Bonds1

About 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane

5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane (PubChem CID 142559439) has the molecular formula C18H18Br2N4 and a molecular weight of 450.18 g/mol. Its IUPAC name is 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane.

Molecular Properties

Compound Name5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane
PubChem CID142559439
Molecular FormulaC18H18Br2N4
Molecular Weight450.18 g/mol
Exact Mass447.99
IUPAC Name5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane
SMILESBrc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2C2CC2)c1.C
InChIInChI=1S/C10H9BrN2.C7H5BrN2.CH4/c11-8-1-4-10-7(5-8)6-12-13(10)9-2-3-9;8-6-1-2-7-5(3-6)4-9-10-7;/h1,4-6,9H,2-3H2;1-4H,(H,9,10);1H4
InChIKeyNUAZHXFIRWZMHX-UHFFFAOYSA-N
XLogP6.10
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.18
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 164629071
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazole
CID 83446614
N-[1-(3-Bromobenzyl)piperidin-3-yl]-1H-indazol-5-amine
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5-Bromo-2-ethyl-2H-indazole
CID 22558977
5-Bromo-1-isopropylindazole
CID 53216940
5-Bromo-2-isopropyl-2H-indazole
CID 53216941
5-Bromo-2-phenyl-2H-indazole
CID 162512752
7-bromo-3-(1-phenylpyrazol-4-yl)-1H-indazole
CID 90489644
4-bromo-1H-indazole;4-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole
CID 67187600
3-bromo-4-fluoro-6-[(4-fluoro-1H-indazol-2-ium-2-yl)methyl]-2H-indazole
CID 123489854
5-Bromo-1-[(3-fluorophenyl)methyl]indazole
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5-Bromo-1-[(2-fluorophenyl)methyl]indazole
CID 138684946

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane?
The IUPAC name of 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane (CID 142559439) is 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane.
What is the SMILES notation for 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane?
The canonical SMILES for 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane is Brc1ccc2[nH]ncc2c1.Brc1ccc2c(cnn2C2CC2)c1.C.
What is the InChIKey of 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane?
The InChIKey is NUAZHXFIRWZMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2.C7H5BrN2.CH4/c11-8-1-4-10-7(5-8)6-12-13(10)9-2-3-9;8-6-1-2-7-5(3-6)4-9-10-7;/h1,4-6,9H,2-3H2;1-4H,(H,9,10);1H4.
What are the key properties of 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane?
5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane has a molecular weight of 450.18 g/mol, XLogP of 6.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-cyclopropylindazole;5-bromo-1H-indazole;methane is sourced from PubChem (CID 142559439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).