5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide

C12H15BrN4O — CID 120831007

IUPAC5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H15BrN4O/c1-7(14-2)6-15-12(18)11-9-5-8(13)3-4-10(9)16-17-11/h3-5,7,14H,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIANDGOMNTMJDHL-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.66
Rot. Bonds4

About 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide

5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide (PubChem CID 120831007) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
PubChem CID120831007
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide
SMILESCNC(C)CNC(=O)c1n[nH]c2ccc(Br)cc12
InChIInChI=1S/C12H15BrN4O/c1-7(14-2)6-15-12(18)11-9-5-8(13)3-4-10(9)16-17-11/h3-5,7,14H,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyIANDGOMNTMJDHL-UHFFFAOYSA-N
XLogP1.66
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-5-bromo-1H-indazole-3-carboxamide
CID 120504693
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CID 120828627
5-bromo-1H-indazole-3-carboxylate
CID 7157357
5-bromo-N-[1-(hydroxymethyl)cyclopropyl]-1H-indazole-3-carboxamide
CID 166150369
methyl (2S)-2-[(5-bromo-1H-indazole-3-carbonyl)amino]-3,3-dimethylbutanoate
CID 165362085
5-bromo-2-hydroxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829917
5-bromo-2-fluoro-N-[2-(methylamino)propyl]benzamide
CID 120827060
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
5-bromo-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1H-indazole-3-carboxamide
CID 141363452
6-bromo-1H-indazole-3-carbohydrazide
CID 130118976
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
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CID 78966222

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide (CID 120831007) is 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide is CNC(C)CNC(=O)c1n[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide?
The InChIKey is IANDGOMNTMJDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-7(14-2)6-15-12(18)11-9-5-8(13)3-4-10(9)16-17-11/h3-5,7,14H,6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide?
5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(methylamino)propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 120831007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).