1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C25H24F4N4O2 — CID 30806385

IUPAC1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C25H24F4N4O2/c1-32(14-16-6-8-17(9-7-16)23(34)30-15-25(27,28)29)24(35)22-20-4-2-3-5-21(20)33(31-22)19-12-10-18(26)11-13-19/h6-13H,2-5,14-15H2,1H3,(H,30,34)
InChIKeyTZSLAOLCBMHQJS-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 30806385) has the molecular formula C25H24F4N4O2 and a molecular weight of 488.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID30806385
Molecular FormulaC25H24F4N4O2
Molecular Weight488.49 g/mol
Exact Mass488.18
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C25H24F4N4O2/c1-32(14-16-6-8-17(9-7-16)23(34)30-15-25(27,28)29)24(35)22-20-4-2-3-5-21(20)33(31-22)19-12-10-18(26)11-13-19/h6-13H,2-5,14-15H2,1H3,(H,30,34)
InChIKeyTZSLAOLCBMHQJS-UHFFFAOYSA-N
XLogP4.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 17498296
1-(4-fluorophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30839353
1-(4-fluorophenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24611876
1-(3,4-difluorophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55774718
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 41191360
1-(4-fluorophenyl)-N-[4-(propylcarbamoyl)phenyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55893431
N-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134036515
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084
1-(4-fluorophenyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24605170
1-(4-fluorophenyl)-N-methyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25492258
N-methyl-N-[[4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]phenyl]methyl]benzamide
CID 24826364

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 30806385) is 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is TZSLAOLCBMHQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F4N4O2/c1-32(14-16-6-8-17(9-7-16)23(34)30-15-25(27,28)29)24(35)22-20-4-2-3-5-21(20)33(31-22)19-12-10-18(26)11-13-19/h6-13H,2-5,14-15H2,1H3,(H,30,34).
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 488.49 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 30806385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).