N-(1-ethoxyethyl)-1H-indazole-3-carboxamide

C12H15N3O2 — CID 57149113

IUPACN-(1-ethoxyethyl)-1H-indazole-3-carboxamide
SMILESCCOC(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H15N3O2/c1-3-17-8(2)13-12(16)11-9-6-4-5-7-10(9)14-15-11/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyZWVVRMBTUWPPCD-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.68
Rot. Bonds4

About N-(1-ethoxyethyl)-1H-indazole-3-carboxamide

N-(1-ethoxyethyl)-1H-indazole-3-carboxamide (PubChem CID 57149113) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(1-ethoxyethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethoxyethyl)-1H-indazole-3-carboxamide
PubChem CID57149113
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(1-ethoxyethyl)-1H-indazole-3-carboxamide
SMILESCCOC(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H15N3O2/c1-3-17-8(2)13-12(16)11-9-6-4-5-7-10(9)14-15-11/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyZWVVRMBTUWPPCD-UHFFFAOYSA-N
XLogP1.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-[(1R)-1-(2-methoxyphenyl)propyl]-1H-indazole-3-carboxamide
CID 38836920
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
N-(1-cyclobutylethyl)-1H-indazole-3-carboxamide
CID 113338562
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-1H-indazole-3-carboxamide
CID 52768115

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxyethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(1-ethoxyethyl)-1H-indazole-3-carboxamide (CID 57149113) is N-(1-ethoxyethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1-ethoxyethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1-ethoxyethyl)-1H-indazole-3-carboxamide is CCOC(C)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(1-ethoxyethyl)-1H-indazole-3-carboxamide?
The InChIKey is ZWVVRMBTUWPPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-3-17-8(2)13-12(16)11-9-6-4-5-7-10(9)14-15-11/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(1-ethoxyethyl)-1H-indazole-3-carboxamide?
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxyethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 57149113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).