4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide

C17H16ClF3N4O2 — CID 615130

IUPAC4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C17H16ClF3N4O2/c1-9-11(5-6-22-16(26)15-13(18)8-23-25(15)2)12-7-10(27-17(19,20)21)3-4-14(12)24-9/h3-4,7-8,24H,5-6H2,1-2H3,(H,22,26)
InChIKeyXZKWBEABVHOLIU-UHFFFAOYSA-N
MW400.79 g/mol
LogP3.73
Rot. Bonds5

About 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide

4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide (PubChem CID 615130) has the molecular formula C17H16ClF3N4O2 and a molecular weight of 400.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide
PubChem CID615130
Molecular FormulaC17H16ClF3N4O2
Molecular Weight400.79 g/mol
Exact Mass400.09
IUPAC Name4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide
SMILESCc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1c(Cl)cnn1C
InChIInChI=1S/C17H16ClF3N4O2/c1-9-11(5-6-22-16(26)15-13(18)8-23-25(15)2)12-7-10(27-17(19,20)21)3-4-14(12)24-9/h3-4,7-8,24H,5-6H2,1-2H3,(H,22,26)
InChIKeyXZKWBEABVHOLIU-UHFFFAOYSA-N
XLogP3.73
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.79
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-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-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyridine-3-carboxamide
CID 617833
N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]thiophene-2-carboxamide
CID 617829
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]acetamide
CID 71296706
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
N-[2-(5-bromo-7-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indole-2-carboxamide
CID 70920633
propan-2-yl (1R,6R)-6-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethylcarbamoyl]cyclohex-3-ene-1-carboxylate
CID 1265746
N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-3-nitrobenzamide
CID 44616010
2,3,4-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086126
3-(5-chloro-1H-indol-3-yl)-N-[3-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]propyl]propanamide
CID 71816540
[3-amino-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-2-yl] N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]carbamate
CID 68621214
N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113086017
N-[2-[5-[chloro(difluoro)methoxy]-2-methyl-1H-indol-3-yl]ethyl]-6-nitro-2-oxochromene-3-carboxamide
CID 1262802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide (CID 615130) is 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide is Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide?
The InChIKey is XZKWBEABVHOLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N4O2/c1-9-11(5-6-22-16(26)15-13(18)8-23-25(15)2)12-7-10(27-17(19,20)21)3-4-14(12)24-9/h3-4,7-8,24H,5-6H2,1-2H3,(H,22,26).
What are the key properties of 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide?
4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide has a molecular weight of 400.79 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 615130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).