3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide

C17H17F3N4O2 — CID 19340671

IUPAC3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)10-26-11-24-9-13(8-22-24)23-16(25)6-5-12-7-21-15-4-2-1-3-14(12)15/h1-4,7-9,21H,5-6,10-11H2,(H,23,25)
InChIKeyHJUMGWGVUJSORU-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.47
Rot. Bonds7

About 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide

3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide (PubChem CID 19340671) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
PubChem CID19340671
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC Name3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1cnn(COCC(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)10-26-11-24-9-13(8-22-24)23-16(25)6-5-12-7-21-15-4-2-1-3-14(12)15/h1-4,7-9,21H,5-6,10-11H2,(H,23,25)
InChIKeyHJUMGWGVUJSORU-UHFFFAOYSA-N
XLogP3.47
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide 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

4-(1H-indol-3-yl)-N-[1-(methoxymethyl)pyrazol-4-yl]butanamide
CID 19410910
4-(1H-indol-3-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]butanamide
CID 19397829
3-(1H-indol-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 2129206
4-(1H-indol-3-yl)-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]butanamide
CID 19410084
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]acetamide
CID 19340779
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
1-[2-oxo-2-[[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]amino]ethyl]pyrazole-3-carboxylic acid
CID 19502323
3-(2-aminophenyl)-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propanamide
CID 120611080
2-[4-[3-(1H-indol-3-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 167894479
2-[2-oxo-2-[[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]amino]ethyl]pyrazole-3-carboxylic acid
CID 19485688
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(1H-indol-3-yl)butanamide
CID 126780952
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide (CID 19340671) is 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1cnn(COCC(F)(F)F)c1.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide?
The InChIKey is HJUMGWGVUJSORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)10-26-11-24-9-13(8-22-24)23-16(25)6-5-12-7-21-15-4-2-1-3-14(12)15/h1-4,7-9,21H,5-6,10-11H2,(H,23,25).
What are the key properties of 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide?
3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide has a molecular weight of 366.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 19340671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).