N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

C21H15F5N4O — CID 162444728

IUPACN-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)cc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F5N4O/c1-30-13(6-11-2-4-12(5-3-11)21(24,25)26)7-18(29-30)20(31)28-19-10-27-17-9-16(23)15(22)8-14(17)19/h2-5,7-10,27H,6H2,1H3,(H,28,31)
InChIKeyLBXROZVQDRWLPE-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.04
Rot. Bonds4

About N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 162444728) has the molecular formula C21H15F5N4O and a molecular weight of 434.37 g/mol. Its IUPAC name is N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID162444728
Molecular FormulaC21H15F5N4O
Molecular Weight434.37 g/mol
Exact Mass434.12
IUPAC NameN-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)cc1Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H15F5N4O/c1-30-13(6-11-2-4-12(5-3-11)21(24,25)26)7-18(29-30)20(31)28-19-10-27-17-9-16(23)15(22)8-14(17)19/h2-5,7-10,27H,6H2,1H3,(H,28,31)
InChIKeyLBXROZVQDRWLPE-UHFFFAOYSA-N
XLogP5.04
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,6-difluoro-1H-indol-3-yl)-5-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazole-3-carboxamide
CID 162444742
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
N-(5,6-difluoro-1H-indol-3-yl)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
N-(5,6-difluoro-1H-indol-3-yl)-4-(2-hydroxypropan-2-yl)benzamide
CID 154652693
N-(5,6-difluoro-1H-indol-3-yl)-2-(trifluoromethyl)benzamide
CID 154652721
N-(5,6-difluoro-1H-indol-3-yl)-N'-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 167322945
methyl 2-fluoro-4-[3-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carbonyl]amino]-1H-indol-5-yl]benzoate
CID 162444706
N-(5,6-difluoro-1H-indol-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 154652690
2-chloro-N-(5,6-difluoro-1H-indol-3-yl)-4-(2,2,2-trifluoroethoxy)benzamide
CID 162445135
N-[5-[2-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]-1H-indol-3-yl]acetamide
CID 167467546
N-(5,6-difluoro-1H-indol-3-yl)-3-(2-methylpyrazol-3-yl)benzamide
CID 154652719
N-(5,6-difluoro-1H-indol-3-yl)-1-(2-pyridin-3-yloxyethyl)pyrazole-3-carboxamide
CID 162444765

Frequently Asked Questions

What is the IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 162444728) is N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2c[nH]c3cc(F)c(F)cc23)cc1Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is LBXROZVQDRWLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N4O/c1-30-13(6-11-2-4-12(5-3-11)21(24,25)26)7-18(29-30)20(31)28-19-10-27-17-9-16(23)15(22)8-14(17)19/h2-5,7-10,27H,6H2,1H3,(H,28,31).
What are the key properties of N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 434.37 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 162444728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).