1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C17H20FN3O2 — CID 17439897

IUPAC1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C17H20FN3O2/c1-23-11-10-19-17(22)16-14-4-2-3-5-15(14)21(20-16)13-8-6-12(18)7-9-13/h6-9H,2-5,10-11H2,1H3,(H,19,22)
InChIKeyCNBYDKKWUBXNQY-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.27
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 17439897) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID17439897
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C17H20FN3O2/c1-23-11-10-19-17(22)16-14-4-2-3-5-15(14)21(20-16)13-8-6-12(18)7-9-13/h6-9H,2-5,10-11H2,1H3,(H,19,22)
InChIKeyCNBYDKKWUBXNQY-UHFFFAOYSA-N
XLogP2.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.27
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 17439897) is 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is COCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is CNBYDKKWUBXNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-23-11-10-19-17(22)16-14-4-2-3-5-15(14)21(20-16)13-8-6-12(18)7-9-13/h6-9H,2-5,10-11H2,1H3,(H,19,22).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methoxyethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 17439897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).