5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide

C15H13FN4O — CID 60904871

IUPAC5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c3ccc(N)cc23)cc1F
InChIInChI=1S/C15H13FN4O/c1-8-2-4-10(7-12(8)16)18-15(21)14-11-6-9(17)3-5-13(11)19-20-14/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyTUNXRGJAZLEOCQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.84
Rot. Bonds2

About 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide

5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide (PubChem CID 60904871) has the molecular formula C15H13FN4O and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
PubChem CID60904871
Molecular FormulaC15H13FN4O
Molecular Weight284.29 g/mol
Exact Mass284.11
IUPAC Name5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2n[nH]c3ccc(N)cc23)cc1F
InChIInChI=1S/C15H13FN4O/c1-8-2-4-10(7-12(8)16)18-15(21)14-11-6-9(17)3-5-13(11)19-20-14/h2-7H,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyTUNXRGJAZLEOCQ-UHFFFAOYSA-N
XLogP2.84
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(3,4-difluorophenyl)-1H-indazole-3-carboxamide
CID 60905598
5-amino-N-(4-bromo-3-methylphenyl)-1H-indazole-3-carboxamide
CID 60904873
5-amino-N-(5-fluoro-2-methylphenyl)-1H-indazole-3-carboxamide
CID 60904758
N-(3-fluoro-4-methylphenyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 4163290
5-amino-N-(3-hydroxyphenyl)-1H-indazole-3-carboxamide
CID 61165913
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
5-amino-N-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 54944301
5-amino-N-(3-cyanophenyl)-1H-indazole-3-carboxamide
CID 60905939
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
5-amino-N-(3-methyl-1,2-oxazol-5-yl)-1H-indazole-3-carboxamide
CID 54944436
5-amino-N-(2-methyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 79042031
5-amino-N-(1-ethylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 60905133

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide (CID 60904871) is 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide is Cc1ccc(NC(=O)c2n[nH]c3ccc(N)cc23)cc1F.
What is the InChIKey of 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide?
The InChIKey is TUNXRGJAZLEOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O/c1-8-2-4-10(7-12(8)16)18-15(21)14-11-6-9(17)3-5-13(11)19-20-14/h2-7H,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide?
5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-fluoro-4-methylphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 60904871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).