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

C14H16N6O — CID 60906487

IUPAC5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCCCn3ccnc3)c2c1
InChIInChI=1S/C14H16N6O/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,1,4,6,15H2,(H,17,21)(H,18,19)
InChIKeyAQNOESCFKYSHHW-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.16
Rot. Bonds5

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

5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide (PubChem CID 60906487) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
PubChem CID60906487
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
SMILESNc1ccc2[nH]nc(C(=O)NCCCn3ccnc3)c2c1
InChIInChI=1S/C14H16N6O/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,1,4,6,15H2,(H,17,21)(H,18,19)
InChIKeyAQNOESCFKYSHHW-UHFFFAOYSA-N
XLogP1.16
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide
CID 167904914
5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 89368560
4-amino-N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081438
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-(4-propan-2-yloxybutyl)-1H-indazole-3-carboxamide
CID 106006184
4-amino-N-(3-imidazol-1-ylpropyl)-3-methylbenzamide
CID 28993545
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(6-imidazol-1-ylhexyl)thiophene-2-carboxamide
CID 110442375
5-amino-2,3-dichloro-N-(3-imidazol-1-ylpropyl)benzamide
CID 107183495
N-(4-imidazol-1-ylbutyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47558539
3-imidazol-1-ylpropylurea
CID 22179621
N-(4-imidazol-1-ylbutyl)thiophene-2-carboxamide
CID 13371093

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide (CID 60906487) is 5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide is Nc1ccc2[nH]nc(C(=O)NCCCn3ccnc3)c2c1.
What is the InChIKey of 5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide?
The InChIKey is AQNOESCFKYSHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/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,1,4,6,15H2,(H,17,21)(H,18,19).
What are the key properties of 5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide?
5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-imidazol-1-ylpropyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 60906487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).