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

C21H19F2N3O — CID 26017080

IUPACN-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C21H19F2N3O/c1-13-6-7-15(23)12-18(13)24-21(27)20-17-4-2-3-5-19(17)26(25-20)16-10-8-14(22)9-11-16/h6-12H,2-5H2,1H3,(H,24,27)
InChIKeyKDDQWLMQQFUHSU-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.59
Rot. Bonds3

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

N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26017080) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26017080
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC NameN-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C21H19F2N3O/c1-13-6-7-15(23)12-18(13)24-21(27)20-17-4-2-3-5-19(17)26(25-20)16-10-8-14(22)9-11-16/h6-12H,2-5H2,1H3,(H,24,27)
InChIKeyKDDQWLMQQFUHSU-UHFFFAOYSA-N
XLogP4.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26017080) is N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1ccc(F)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is KDDQWLMQQFUHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-13-6-7-15(23)12-18(13)24-21(27)20-17-4-2-3-5-19(17)26(25-20)16-10-8-14(22)9-11-16/h6-12H,2-5H2,1H3,(H,24,27).
What are the key properties of N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26017080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).