N-(3-bromopropyl)-1-methylindazole-3-carboxamide

C12H14BrN3O — CID 103119709

IUPACN-(3-bromopropyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCBr)c2ccccc21
InChIInChI=1S/C12H14BrN3O/c1-16-10-6-3-2-5-9(10)11(15-16)12(17)14-8-4-7-13/h2-3,5-6H,4,7-8H2,1H3,(H,14,17)
InChIKeyJQGHTDZZEKCCRX-UHFFFAOYSA-N
MW296.17 g/mol
LogP2.09
Rot. Bonds4

About N-(3-bromopropyl)-1-methylindazole-3-carboxamide

N-(3-bromopropyl)-1-methylindazole-3-carboxamide (PubChem CID 103119709) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is N-(3-bromopropyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-1-methylindazole-3-carboxamide
PubChem CID103119709
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC NameN-(3-bromopropyl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NCCCBr)c2ccccc21
InChIInChI=1S/C12H14BrN3O/c1-16-10-6-3-2-5-9(10)11(15-16)12(17)14-8-4-7-13/h2-3,5-6H,4,7-8H2,1H3,(H,14,17)
InChIKeyJQGHTDZZEKCCRX-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045
N-[2-(2-hydroxypropylamino)ethyl]-1-methylindazole-3-carboxamide
CID 103121080
N-(2-chloropropyl)-1-methylindazole-3-carboxamide
CID 103122559
N-[3-(bromomethyl)pentan-3-yl]-1-methylindazole-3-carboxamide
CID 103122744
N-[(4-fluorophenyl)methyl]-1-methylindazole-3-carboxamide
CID 71822185

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(3-bromopropyl)-1-methylindazole-3-carboxamide (CID 103119709) is N-(3-bromopropyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NCCCBr)c2ccccc21.
What is the InChIKey of N-(3-bromopropyl)-1-methylindazole-3-carboxamide?
The InChIKey is JQGHTDZZEKCCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-16-10-6-3-2-5-9(10)11(15-16)12(17)14-8-4-7-13/h2-3,5-6H,4,7-8H2,1H3,(H,14,17).
What are the key properties of N-(3-bromopropyl)-1-methylindazole-3-carboxamide?
N-(3-bromopropyl)-1-methylindazole-3-carboxamide has a molecular weight of 296.17 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 103119709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).