N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide

C11H10BrN3O — CID 167908620

IUPACN-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1Br)C1CC1
InChIInChI=1S/C11H10BrN3O/c12-9-8(14-11(16)6-1-2-6)4-3-7-5-13-15-10(7)9/h3-6H,1-2H2,(H,13,15)(H,14,16)
InChIKeyIYHWYDGIYOCLBQ-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.67
Rot. Bonds2

About N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide

N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide (PubChem CID 167908620) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide
PubChem CID167908620
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC NameN-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc2cn[nH]c2c1Br)C1CC1
InChIInChI=1S/C11H10BrN3O/c12-9-8(14-11(16)6-1-2-6)4-3-7-5-13-15-10(7)9/h3-6H,1-2H2,(H,13,15)(H,14,16)
InChIKeyIYHWYDGIYOCLBQ-UHFFFAOYSA-N
XLogP2.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide?
The IUPAC name of N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide (CID 167908620) is N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide is O=C(Nc1ccc2cn[nH]c2c1Br)C1CC1.
What is the InChIKey of N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide?
The InChIKey is IYHWYDGIYOCLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-9-8(14-11(16)6-1-2-6)4-3-7-5-13-15-10(7)9/h3-6H,1-2H2,(H,13,15)(H,14,16).
What are the key properties of N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide?
N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide has a molecular weight of 280.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bromo-1H-indazol-6-yl)cyclopropanecarboxamide is sourced from PubChem (CID 167908620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).