N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide

C17H17N3O2 — CID 2559325

IUPACN-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)10-11-18-17(21)16-14-4-2-3-5-15(14)19-20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyQZKVWQAOTMGENH-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.54
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide (PubChem CID 2559325) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
PubChem CID2559325
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2n[nH]c3ccccc23)cc1
InChIInChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)10-11-18-17(21)16-14-4-2-3-5-15(14)19-20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20)
InChIKeyQZKVWQAOTMGENH-UHFFFAOYSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide (CID 2559325) is N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide is COc1ccc(CCNC(=O)c2n[nH]c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is QZKVWQAOTMGENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-13-8-6-12(7-9-13)10-11-18-17(21)16-14-4-2-3-5-15(14)19-20-16/h2-9H,10-11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 2559325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).