5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide

C14H13BrN4O2 — CID 61107883

IUPAC5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H13BrN4O2/c1-19(7-9-3-5-12(15)21-9)14(20)13-10-6-8(16)2-4-11(10)17-18-13/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyNYWQJEFHGHTQKN-UHFFFAOYSA-N
MW349.19 g/mol
LogP2.77
Rot. Bonds3

About 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide

5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide (PubChem CID 61107883) has the molecular formula C14H13BrN4O2 and a molecular weight of 349.19 g/mol. Its IUPAC name is 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide
PubChem CID61107883
Molecular FormulaC14H13BrN4O2
Molecular Weight349.19 g/mol
Exact Mass348.02
IUPAC Name5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide
SMILESCN(Cc1ccc(Br)o1)C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C14H13BrN4O2/c1-19(7-9-3-5-12(15)21-9)14(20)13-10-6-8(16)2-4-11(10)17-18-13/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyNYWQJEFHGHTQKN-UHFFFAOYSA-N
XLogP2.77
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.19
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-methyl-N-propyl-1H-indazole-3-carboxamide
CID 54944712
4-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109003
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 81316878
5-amino-N-(cyclopentylmethyl)-N-methyl-1H-indazole-3-carboxamide
CID 63632080
5-amino-N-(2-ethoxyethyl)-N-methyl-1H-indazole-3-carboxamide
CID 81053101
5-amino-N-[(2R)-butan-2-yl]-N-ethyl-1H-indazole-3-carboxamide
CID 94177007
4-amino-N-[(5-bromofuran-2-yl)methyl]-3,5-dichloro-N-methylbenzamide
CID 82794027
5-amino-N-(4-hydroxyphenyl)-N-methyl-1H-indazole-3-carboxamide
CID 107733029
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
5-amino-N-ethyl-1H-indazole-3-carboxamide
CID 60909138
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-5-nitro-1H-indazole-3-carboxamide
CID 134060234

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide (CID 61107883) is 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide is CN(Cc1ccc(Br)o1)C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is NYWQJEFHGHTQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O2/c1-19(7-9-3-5-12(15)21-9)14(20)13-10-6-8(16)2-4-11(10)17-18-13/h2-6H,7,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide?
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 349.19 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 61107883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).