5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide

C14H14BrN5O — CID 167904914

IUPAC5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H14BrN5O/c15-10-2-3-12-11(8-10)13(19-18-12)14(21)17-4-1-6-20-7-5-16-9-20/h2-3,5,7-9H,1,4,6H2,(H,17,21)(H,18,19)
InChIKeyZFWZTAZXVKETGD-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.34
Rot. Bonds5

About 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide

5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide (PubChem CID 167904914) has the molecular formula C14H14BrN5O and a molecular weight of 348.20 g/mol. Its IUPAC name is 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
PubChem CID167904914
Molecular FormulaC14H14BrN5O
Molecular Weight348.20 g/mol
Exact Mass347.04
IUPAC Name5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
SMILESO=C(NCCCn1ccnc1)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H14BrN5O/c15-10-2-3-12-11(8-10)13(19-18-12)14(21)17-4-1-6-20-7-5-16-9-20/h2-3,5,7-9H,1,4,6H2,(H,17,21)(H,18,19)
InChIKeyZFWZTAZXVKETGD-UHFFFAOYSA-N
XLogP2.34
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 60906487
5-bromo-2-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 2970837
5-bromo-N-(3-imidazol-1-ylpropyl)-2-methylbenzamide
CID 65307454
4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081438
5-bromo-N-(3-imidazol-1-ylpropyl)pyridine-3-carboxamide
CID 51155858
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
3-bromo-5-chloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 103826381
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
CID 47099001
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
4-bromo-N-(3-imidazol-1-ylpropyl)-1-propylpyrrole-2-carboxamide
CID 43641423

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide (CID 167904914) is 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide is O=C(NCCCn1ccnc1)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide?
The InChIKey is ZFWZTAZXVKETGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O/c15-10-2-3-12-11(8-10)13(19-18-12)14(21)17-4-1-6-20-7-5-16-9-20/h2-3,5,7-9H,1,4,6H2,(H,17,21)(H,18,19).
What are the key properties of 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide?
5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide has a molecular weight of 348.20 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 167904914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).