5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide

C17H17N3OS — CID 78858986

IUPAC5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCCSc3ccccc3)c2c1
InChIInChI=1S/C17H17N3OS/c1-12-7-8-15-14(11-12)16(20-19-15)17(21)18-9-10-22-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyXFBZLCHUJDEIOZ-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.39
Rot. Bonds5

About 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide

5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide (PubChem CID 78858986) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide
PubChem CID78858986
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide
SMILESCc1ccc2[nH]nc(C(=O)NCCSc3ccccc3)c2c1
InChIInChI=1S/C17H17N3OS/c1-12-7-8-15-14(11-12)16(20-19-15)17(21)18-9-10-22-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,20)
InChIKeyXFBZLCHUJDEIOZ-UHFFFAOYSA-N
XLogP3.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.39
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

5-methyl-N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1H-indazole-3-carboxamide
CID 56722867
N-[2-(furan-2-carbonylamino)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78869375
5-methyl-N-[2-(2-nitroanilino)ethyl]-1H-indazole-3-carboxamide
CID 78868152
N-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859037
5-methyl-N-(2-piperidin-1-ylethyl)-1H-indazole-3-carboxamide
CID 78878733
3-amino-N-(2-phenylsulfanylethyl)-1H-pyrazole-5-carboxamide
CID 64525684
5-methyl-N-prop-2-enyl-1H-indazole-3-carboxamide
CID 78859111
5-methyl-N-(2-methylphenyl)-1H-indazole-3-carboxamide
CID 78859031
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
2-bromo-5-methyl-N-(2-phenylsulfanylethyl)benzamide
CID 80965861
5-methyl-N-(thiophen-2-ylmethyl)-1H-indazole-3-carboxamide
CID 78859110
N-[2-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-5-methyl-1H-indazole-3-carboxamide
CID 56721663

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide (CID 78858986) is 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide is Cc1ccc2[nH]nc(C(=O)NCCSc3ccccc3)c2c1.
What is the InChIKey of 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide?
The InChIKey is XFBZLCHUJDEIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-7-8-15-14(11-12)16(20-19-15)17(21)18-9-10-22-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide?
5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-phenylsulfanylethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 78858986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).