N-(2-phenoxyethyl)-1H-indazole-3-carboxamide

C16H15N3O2 — CID 27758329

IUPACN-(2-phenoxyethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H15N3O2/c20-16(15-13-8-4-5-9-14(13)18-19-15)17-10-11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyKOZQBGVOVFNJHI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.37
Rot. Bonds5

About N-(2-phenoxyethyl)-1H-indazole-3-carboxamide

N-(2-phenoxyethyl)-1H-indazole-3-carboxamide (PubChem CID 27758329) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-1H-indazole-3-carboxamide
PubChem CID27758329
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2-phenoxyethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1n[nH]c2ccccc12
InChIInChI=1S/C16H15N3O2/c20-16(15-13-8-4-5-9-14(13)18-19-15)17-10-11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)(H,18,19)
InChIKeyKOZQBGVOVFNJHI-UHFFFAOYSA-N
XLogP2.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromophenoxy)ethyl]-1H-indazole-3-carboxamide
CID 55976013
N-[2-(2-methoxyphenoxy)ethyl]-1H-indazole-3-carboxamide
CID 4785814
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-(2-cyclopentylethyl)-1H-indazole-3-carboxamide
CID 60735601
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]-1H-indazole-3-carboxamide
CID 99336157
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
4-amino-5-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 62379290

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)-1H-indazole-3-carboxamide (CID 27758329) is N-(2-phenoxyethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)-1H-indazole-3-carboxamide is O=C(NCCOc1ccccc1)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2-phenoxyethyl)-1H-indazole-3-carboxamide?
The InChIKey is KOZQBGVOVFNJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16(15-13-8-4-5-9-14(13)18-19-15)17-10-11-21-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,20)(H,18,19).
What are the key properties of N-(2-phenoxyethyl)-1H-indazole-3-carboxamide?
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 27758329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).