N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide

C15H20BrN3O — CID 103122744

IUPACN-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide
SMILESCCC(CC)(CBr)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C15H20BrN3O/c1-4-15(5-2,10-16)17-14(20)13-11-8-6-7-9-12(11)19(3)18-13/h6-9H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyIYISJRYLSKRKMN-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.26
Rot. Bonds5

About N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide

N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide (PubChem CID 103122744) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide
PubChem CID103122744
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC NameN-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide
SMILESCCC(CC)(CBr)NC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C15H20BrN3O/c1-4-15(5-2,10-16)17-14(20)13-11-8-6-7-9-12(11)19(3)18-13/h6-9H,4-5,10H2,1-3H3,(H,17,20)
InChIKeyIYISJRYLSKRKMN-UHFFFAOYSA-N
XLogP3.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloro-2-methylbutan-2-yl)-1-methylindazole-3-carboxamide
CID 103122622
N-(1-chloro-3-methylpentan-3-yl)-1-methylindazole-3-carboxamide
CID 106168249
N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
N-(3-chloro-2,2-dimethylpropyl)-1-methylindazole-3-carboxamide
CID 103122780
1-methyl-N-(2-pyridin-2-ylpropan-2-yl)indazole-3-carboxamide
CID 166081591
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-[(2-chlorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822183
N-(5-amino-2,2-dimethylpentyl)-1-methylindazole-3-carboxamide
CID 106141144
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
3-methyl-2-[[(1-methylindazole-3-carbonyl)amino]methyl]butanoic acid
CID 103116907

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide?
The IUPAC name of N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide (CID 103122744) is N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide?
The canonical SMILES for N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide is CCC(CC)(CBr)NC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide?
The InChIKey is IYISJRYLSKRKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c1-4-15(5-2,10-16)17-14(20)13-11-8-6-7-9-12(11)19(3)18-13/h6-9H,4-5,10H2,1-3H3,(H,17,20).
What are the key properties of N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide?
N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103122744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).