N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C23H21F3N4O — CID 166376123

IUPACN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCc1cccc2c(CCNC(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)c[nH]c12
InChIInChI=1S/C23H21F3N4O/c1-2-15-6-5-7-17-16(14-28-21(15)17)10-12-27-22(31)19-11-13-30(29-19)20-9-4-3-8-18(20)23(24,25)26/h3-9,11,13-14,28H,2,10,12H2,1H3,(H,27,31)
InChIKeyWMQSMMZTVPOSKO-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.91
Rot. Bonds6

About N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 166376123) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID166376123
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC NameN-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCCc1cccc2c(CCNC(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)c[nH]c12
InChIInChI=1S/C23H21F3N4O/c1-2-15-6-5-7-17-16(14-28-21(15)17)10-12-27-22(31)19-11-13-30(29-19)20-9-4-3-8-18(20)23(24,25)26/h3-9,11,13-14,28H,2,10,12H2,1H3,(H,27,31)
InChIKeyWMQSMMZTVPOSKO-UHFFFAOYSA-N
XLogP4.91
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-(2-methylphenyl)pyrazole-3-carboxamide
CID 166376122
1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 47020755
2-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 119779445
4-(aminomethyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]benzamide;hydrochloride
CID 119321134
N-[2-(7-chloro-1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 146093918
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419
ethane;3-ethyl-7-(trifluoromethyl)-1H-indole
CID 177016084
1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide
CID 111117711
5-(diethylsulfamoyl)-N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-fluorobenzamide
CID 86936375
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111117710
1-[2-(7-ethyl-1H-indol-3-yl)ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111835793

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 166376123) is N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is CCc1cccc2c(CCNC(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)c[nH]c12.
What is the InChIKey of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is WMQSMMZTVPOSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O/c1-2-15-6-5-7-17-16(14-28-21(15)17)10-12-27-22(31)19-11-13-30(29-19)20-9-4-3-8-18(20)23(24,25)26/h3-9,11,13-14,28H,2,10,12H2,1H3,(H,27,31).
What are the key properties of N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 426.44 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166376123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).