N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

C20H14F4N4O — CID 162444777

IUPACN-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)ccc12)c1ccn(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H14F4N4O/c21-14-5-6-15-17(9-14)25-10-18(15)26-19(29)16-7-8-28(27-16)11-12-1-3-13(4-2-12)20(22,23)24/h1-10,25H,11H2,(H,26,29)
InChIKeyDBCBJIJXKAHDEN-UHFFFAOYSA-N
MW402.35 g/mol
LogP4.82
Rot. Bonds4

About N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide

N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (PubChem CID 162444777) has the molecular formula C20H14F4N4O and a molecular weight of 402.35 g/mol. Its IUPAC name is N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
PubChem CID162444777
Molecular FormulaC20H14F4N4O
Molecular Weight402.35 g/mol
Exact Mass402.11
IUPAC NameN-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1c[nH]c2cc(F)ccc12)c1ccn(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H14F4N4O/c21-14-5-6-15-17(9-14)25-10-18(15)26-19(29)16-7-8-28(27-16)11-12-1-3-13(4-2-12)20(22,23)24/h1-10,25H,11H2,(H,26,29)
InChIKeyDBCBJIJXKAHDEN-UHFFFAOYSA-N
XLogP4.82
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
2-(1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 44596891
1-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(1H-indol-1-yl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 23646200
5-(1~{h}-Indol-3-Ylmethyl)-1-Methyl-~{n}-(Naphthalen-1-Ylmethyl)-6,7-Dihydro-4~{h}-Pyrazolo[4,3-C]pyridine-3-Carboxamide
CID 118933302
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447
N'-[(E)-1H-indol-3-ylmethylidene]-1H-pyrazole-3-carbohydrazide
CID 135510250
(E)-N'-((1H-indol-3-yl)methylene)-3-isopropyl-1H-pyrazole-5-carbohydrazide
CID 135642422
1-(4-fluoro-1H-indol-3-yl)-2-[4-(1H-pyrazole-3-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 506360
N-(pyridin-2-ylmethyl)-1H-indazole-3-carboxamide
CID 2999812
N-(5-Quinolinyl)-1-[3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 10430847
Pyrazole-3-carboxylic acid quinolin-3-ylamide
CID 11651620
N-[6-(1H-Indol-4-yl)-1H-indazol-4-yl]-2-pyridinecarboxamide
CID 44540407

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide (CID 162444777) is N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is O=C(Nc1c[nH]c2cc(F)ccc12)c1ccn(Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
The InChIKey is DBCBJIJXKAHDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4O/c21-14-5-6-15-17(9-14)25-10-18(15)26-19(29)16-7-8-28(27-16)11-12-1-3-13(4-2-12)20(22,23)24/h1-10,25H,11H2,(H,26,29).
What are the key properties of N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide?
N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide has a molecular weight of 402.35 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 162444777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).