5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide

C15H11N5O — CID 60905939

IUPAC5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2n[nH]c3ccc(N)cc23)c1
InChIInChI=1S/C15H11N5O/c16-8-9-2-1-3-11(6-9)18-15(21)14-12-7-10(17)4-5-13(12)19-20-14/h1-7H,17H2,(H,18,21)(H,19,20)
InChIKeyJHWZEYUILTZOKC-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.27
Rot. Bonds2

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

5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide (PubChem CID 60905939) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
PubChem CID60905939
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2n[nH]c3ccc(N)cc23)c1
InChIInChI=1S/C15H11N5O/c16-8-9-2-1-3-11(6-9)18-15(21)14-12-7-10(17)4-5-13(12)19-20-14/h1-7H,17H2,(H,18,21)(H,19,20)
InChIKeyJHWZEYUILTZOKC-UHFFFAOYSA-N
XLogP2.27
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 40711329
5-amino-N-(3-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 61165913
N-(3-cyanophenyl)-5-isoquinolin-4-yl-1H-indazole-3-carboxamide
CID 69074888
5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
CID 60905598
5-amino-N-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 54944301
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
CID 60904871
5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 60904873
5-amino-N-pyridin-2-yl-1H-indazole-3-carboxamide
CID 54944801
N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-fluoro-1H-indazole-3-carboxamide
CID 71259814
6-amino-3-chloro-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 62156588
5-amino-N-(2-bromo-3-chlorophenyl)-1H-indazole-3-carboxamide
CID 103477097
N-(2-chloro-4-cyanophenyl)-1H-indazole-3-carboxamide
CID 107809699

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide (CID 60905939) is 5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide is N#Cc1cccc(NC(=O)c2n[nH]c3ccc(N)cc23)c1.
What is the InChIKey of 5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide?
The InChIKey is JHWZEYUILTZOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c16-8-9-2-1-3-11(6-9)18-15(21)14-12-7-10(17)4-5-13(12)19-20-14/h1-7H,17H2,(H,18,21)(H,19,20).
What are the key properties of 5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide?
5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 60905939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).