N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide

C22H19F3N4O — CID 170336720

IUPACN-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(-c3cnn([C@@H](C)c4cccc(C(F)(F)F)c4)c3)cc12
InChIInChI=1S/C22H19F3N4O/c1-13(15-4-3-5-18(8-15)22(23,24)25)29-12-17(10-27-29)16-6-7-20-19(9-16)21(11-26-20)28-14(2)30/h3-13,26H,1-2H3,(H,28,30)/t13-/m0/s1
InChIKeyMRSUITXWLGFJOU-ZDUSSCGKSA-N
MW412.42 g/mol
LogP5.62
Rot. Bonds4

About N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide

N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide (PubChem CID 170336720) has the molecular formula C22H19F3N4O and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
PubChem CID170336720
Molecular FormulaC22H19F3N4O
Molecular Weight412.42 g/mol
Exact Mass412.15
IUPAC NameN-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
SMILESCC(=O)Nc1c[nH]c2ccc(-c3cnn([C@@H](C)c4cccc(C(F)(F)F)c4)c3)cc12
InChIInChI=1S/C22H19F3N4O/c1-13(15-4-3-5-18(8-15)22(23,24)25)29-12-17(10-27-29)16-6-7-20-19(9-16)21(11-26-20)28-14(2)30/h3-13,26H,1-2H3,(H,28,30)/t13-/m0/s1
InChIKeyMRSUITXWLGFJOU-ZDUSSCGKSA-N
XLogP5.62
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide 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)-1-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 162444806
N-methyl-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573407
N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]-2H-triazole-4-carboxamide
CID 166951469
3,3,3-trifluoro-2-(hydroxymethyl)-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide
CID 166951453
4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
CID 175818339
N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]acetamide
CID 167468240
N-(3-methoxycyclobutyl)-N'-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]oxamide
CID 164573382
1-methyl-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]azetidine-2-carboxamide
CID 166951799
3-cyano-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]-1H-pyrazole-5-carboxamide
CID 166951467
4,4-difluoro-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]pyrrolidine-2-carboxamide
CID 170336737
3-imidazol-1-yl-N-[5-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-1H-indol-3-yl]propanamide
CID 162705223
N-[5-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]pyrazol-4-yl]-1H-indol-3-yl]cyclobutanecarboxamide
CID 166951845

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide?
The IUPAC name of N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide (CID 170336720) is N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide.
What is the SMILES notation for N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide?
The canonical SMILES for N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide is CC(=O)Nc1c[nH]c2ccc(-c3cnn([C@@H](C)c4cccc(C(F)(F)F)c4)c3)cc12.
What is the InChIKey of N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide?
The InChIKey is MRSUITXWLGFJOU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H19F3N4O/c1-13(15-4-3-5-18(8-15)22(23,24)25)29-12-17(10-27-29)16-6-7-20-19(9-16)21(11-26-20)28-14(2)30/h3-13,26H,1-2H3,(H,28,30)/t13-/m0/s1.
What are the key properties of N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide?
N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide has a molecular weight of 412.42 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide is sourced from PubChem (CID 170336720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).