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

C13H17N3O2 — CID 166081516

IUPACN-(3-methoxypropyl)-1-methylindazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H17N3O2/c1-16-11-7-4-3-6-10(11)12(15-16)13(17)14-8-5-9-18-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,17)
InChIKeyJFNQRLUTGAXWCX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.34
Rot. Bonds5

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

N-(3-methoxypropyl)-1-methylindazole-3-carboxamide (PubChem CID 166081516) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methylindazole-3-carboxamide
PubChem CID166081516
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(3-methoxypropyl)-1-methylindazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C13H17N3O2/c1-16-11-7-4-3-6-10(11)12(15-16)13(17)14-8-5-9-18-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,17)
InChIKeyJFNQRLUTGAXWCX-UHFFFAOYSA-N
XLogP1.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-1-methylindazole-3-carboxamide
CID 103119709
methyl 3-[(1-methylindazole-3-carbonyl)amino]propanoate
CID 103121172
6-[(1-methylindazole-3-carbonyl)amino]hexanoic acid
CID 103116333
4-methoxy-1-(1-methylindazol-3-yl)butan-1-one
CID 103125569
N-(2-chloroethyl)-1-methylindazole-3-carboxamide
CID 103119713
1-methyl-N-pent-4-ynylindazole-3-carboxamide
CID 106223254
5-methoxy-1-(1-methylindazol-3-yl)pentan-1-one
CID 112754729
N-(2-hydroxy-3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 103120182
1-methyl-N-(5-piperidin-1-ylpentyl)indazole-3-carboxamide
CID 54486483
N-(4-azidobutyl)-1-methylindazole-3-carboxamide
CID 106386463
N-(3-methoxypropyl)-1,3-dimethylindole-2-carboxamide
CID 113204340
2-methyl-4-[(1-methylindazole-3-carbonyl)amino]butanoic acid
CID 103117045

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-methylindazole-3-carboxamide (CID 166081516) is N-(3-methoxypropyl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-methylindazole-3-carboxamide is COCCCNC(=O)c1nn(C)c2ccccc12.
What is the InChIKey of N-(3-methoxypropyl)-1-methylindazole-3-carboxamide?
The InChIKey is JFNQRLUTGAXWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16-11-7-4-3-6-10(11)12(15-16)13(17)14-8-5-9-18-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,17).
What are the key properties of N-(3-methoxypropyl)-1-methylindazole-3-carboxamide?
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 166081516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).