3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide

C10H6BrN3O — CID 130664762

IUPAC3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide
SMILESO=C(C#CBr)Nc1cccc2[nH]ncc12
InChIInChI=1S/C10H6BrN3O/c11-5-4-10(15)13-8-2-1-3-9-7(8)6-12-14-9/h1-3,6H,(H,12,14)(H,13,15)
InChIKeyZDELNLGTFNNSAK-UHFFFAOYSA-N
MW264.08 g/mol
LogP1.86
Rot. Bonds1

About 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide

3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide (PubChem CID 130664762) has the molecular formula C10H6BrN3O and a molecular weight of 264.08 g/mol. Its IUPAC name is 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide.

Molecular Properties

Compound Name3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide
PubChem CID130664762
Molecular FormulaC10H6BrN3O
Molecular Weight264.08 g/mol
Exact Mass262.97
IUPAC Name3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide
SMILESO=C(C#CBr)Nc1cccc2[nH]ncc12
InChIInChI=1S/C10H6BrN3O/c11-5-4-10(15)13-8-2-1-3-9-7(8)6-12-14-9/h1-3,6H,(H,12,14)(H,13,15)
InChIKeyZDELNLGTFNNSAK-UHFFFAOYSA-N
XLogP1.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-4-yl)propanamide
CID 61035756
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2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
CID 110479732
6-(1H-indazol-4-ylamino)-6-oxohexanoic acid
CID 54866853
4-chloro-N-(1H-indazol-4-yl)butanamide
CID 63307555
N-(1H-indazol-4-yl)pentanamide
CID 110479421
N-(1H-indazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 110474099
3-bromo-N-(1H-indazol-4-yl)thiophene-2-carboxamide
CID 63800243
3-(dimethylamino)-N-(1H-indazol-4-yl)propanamide
CID 110481555
2-amino-N-(1H-indazol-4-yl)-3,3-dimethylbutanamide
CID 76887328
N-(1H-indazol-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103772000

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide?
The IUPAC name of 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide (CID 130664762) is 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide.
What is the SMILES notation for 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide?
The canonical SMILES for 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide is O=C(C#CBr)Nc1cccc2[nH]ncc12.
What is the InChIKey of 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide?
The InChIKey is ZDELNLGTFNNSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O/c11-5-4-10(15)13-8-2-1-3-9-7(8)6-12-14-9/h1-3,6H,(H,12,14)(H,13,15).
What are the key properties of 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide?
3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide has a molecular weight of 264.08 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1H-indazol-4-yl)prop-2-ynamide is sourced from PubChem (CID 130664762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).