1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H23FN4O2 — CID 30839353

IUPAC1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1
InChIInChI=1S/C23H23FN4O2/c1-25-22(29)16-8-6-15(7-9-16)14-26-23(30)21-19-4-2-3-5-20(19)28(27-21)18-12-10-17(24)11-13-18/h6-13H,2-5,14H2,1H3,(H,25,29)(H,26,30)
InChIKeyUNRBFKGBCYAMOA-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.18
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 30839353) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID30839353
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1
InChIInChI=1S/C23H23FN4O2/c1-25-22(29)16-8-6-15(7-9-16)14-26-23(30)21-19-4-2-3-5-20(19)28(27-21)18-12-10-17(24)11-13-18/h6-13H,2-5,14H2,1H3,(H,25,29)(H,26,30)
InChIKeyUNRBFKGBCYAMOA-UHFFFAOYSA-N
XLogP3.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30859045
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
1-(4-fluorophenyl)-N-[4-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 17423592
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
1-(4-fluorophenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18279681
1-(4-fluorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16601210
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590207
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55486564
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
1-(4-fluorophenyl)-N-[3-(methylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618962
1-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605170
1-(4-fluorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581233

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 30839353) is 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is UNRBFKGBCYAMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-25-22(29)16-8-6-15(7-9-16)14-26-23(30)21-19-4-2-3-5-20(19)28(27-21)18-12-10-17(24)11-13-18/h6-13H,2-5,14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 30839353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).