1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C21H16ClF3N4O — CID 55457812

IUPAC1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C21H16ClF3N4O/c22-14-5-7-15(8-6-14)29-19(21(23,24)25)17(12-28-29)20(30)26-10-9-13-11-27-18-4-2-1-3-16(13)18/h1-8,11-12,27H,9-10H2,(H,26,30)
InChIKeyPANDVEZBDQWDMF-UHFFFAOYSA-N
MW432.83 g/mol
LogP5.00
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55457812) has the molecular formula C21H16ClF3N4O and a molecular weight of 432.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55457812
Molecular FormulaC21H16ClF3N4O
Molecular Weight432.83 g/mol
Exact Mass432.10
IUPAC Name1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C21H16ClF3N4O/c22-14-5-7-15(8-6-14)29-19(21(23,24)25)17(12-28-29)20(30)26-10-9-13-11-27-18-4-2-1-3-16(13)18/h1-8,11-12,27H,9-10H2,(H,26,30)
InChIKeyPANDVEZBDQWDMF-UHFFFAOYSA-N
XLogP5.00
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.83
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-(1-ethyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6875058
2-(5-(1-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-5-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 25114098
(2-((1H-indazol-6-yl)methylamino)phenyl)(5-chloro-1H-indol-3-yl)methanone
CID 44578019
2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 54771359
2-(6-fluoro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 54771575
N-[(3,4-difluorophenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57395999
N-(cyclohexylmethyl)-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57399465
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576298
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576451
N-((1H-indol-4-yl)methyl)-3-chloro-N-(cyclobutylmethyl)-1H-pyrazole-5-carboxamide
CID 73212934
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 74220534
2-anilino-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 141755662

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55457812) is 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PANDVEZBDQWDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N4O/c22-14-5-7-15(8-6-14)29-19(21(23,24)25)17(12-28-29)20(30)26-10-9-13-11-27-18-4-2-1-3-16(13)18/h1-8,11-12,27H,9-10H2,(H,26,30).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 432.83 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55457812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).