N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide

C21H24FN3O — CID 45273570

IUPACN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C21H24FN3O/c1-4-11-21(2,3)20(26)23-13-15-5-10-19-16(12-15)14-24-25(19)18-8-6-17(22)7-9-18/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,26)
InChIKeyLRFHICDJSWCQTA-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.61
Rot. Bonds6

About N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide

N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide (PubChem CID 45273570) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide
PubChem CID45273570
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC NameN-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide
SMILESCCCC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C21H24FN3O/c1-4-11-21(2,3)20(26)23-13-15-5-10-19-16(12-15)14-24-25(19)18-8-6-17(22)7-9-18/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,26)
InChIKeyLRFHICDJSWCQTA-UHFFFAOYSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
3,3,3-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]propanamide
CID 59251119
N-(2,4-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850351
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723494
1-{4-[1-(3-aminomethylphenyl)-7-fluoro-3-methyl-1H-indazol-6-yl]phenyl}pyrrolidin-2-one
CID 11509879
1-{4-[1-(3-aminomethylphenyl)-7-fluoro-3-methyl-1H-indazol-6-yl]phenyl}piperidin-2-one
CID 11704628
1-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]-3-(2,2,2-trifluoroethyl)urea
CID 24936312
1-tert-butyl-3-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]urea
CID 24936313
2,2,2-trifluoro-N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
CID 24936446
2-(4-((dimethylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 44549647

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide?
The IUPAC name of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide (CID 45273570) is N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide is CCCC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide?
The InChIKey is LRFHICDJSWCQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-4-11-21(2,3)20(26)23-13-15-5-10-19-16(12-15)14-24-25(19)18-8-6-17(22)7-9-18/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,26).
What are the key properties of N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide?
N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide has a molecular weight of 353.44 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-2,2-dimethylpentanamide is sourced from PubChem (CID 45273570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).