N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

C20H13ClF4N4O — CID 162444846

IUPACN-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2cc(Cl)c(F)cc12)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H13ClF4N4O/c21-15-6-17-14(5-16(15)22)18(8-26-17)28-19(30)12-7-27-29(10-12)9-11-1-3-13(4-2-11)20(23,24)25/h1-8,10,26H,9H2,(H,28,30)
InChIKeyJQUVGORONGUTLR-UHFFFAOYSA-N
MW436.80 g/mol
LogP5.48
Rot. Bonds4

About N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide

N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 162444846) has the molecular formula C20H13ClF4N4O and a molecular weight of 436.80 g/mol. Its IUPAC name is N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID162444846
Molecular FormulaC20H13ClF4N4O
Molecular Weight436.80 g/mol
Exact Mass436.07
IUPAC NameN-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESO=C(Nc1c[nH]c2cc(Cl)c(F)cc12)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C20H13ClF4N4O/c21-15-6-17-14(5-16(15)22)18(8-26-17)28-19(30)12-7-27-29(10-12)9-11-1-3-13(4-2-11)20(23,24)25/h1-8,10,26H,9H2,(H,28,30)
InChIKeyJQUVGORONGUTLR-UHFFFAOYSA-N
XLogP5.48
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.80
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-2-oxo-N-(4-pyrazol-1-ylphenyl)acetamide
CID 54771359
1-(4-chlorobenzyl)-N'-(1H-indol-3-ylmethylene)-1H-pyrazole-3-carbohydrazide
CID 135411603
N-(5-chloro-6-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)-1-(8-fluoroquinolin-5-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609817
N-(5-chloro-2-methyl-4-(2H-1,2,3-triazol-2-yl)phenyl)-1-(8-fluoroisoquinolin-4-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 134609862
1-(7-chloropyrazolo[1,5-a]pyridin-4-yl)-5-(trifluoromethyl)-N-(2-(trifluoromethyl)pyridin-4-yl)-1H-pyrazole-4-carboxamide
CID 146279733
N-(5-chloro-6-fluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 162444701
N-(5,6-difluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 162444713
1-[(4,4-difluorocyclohexyl)methyl]-N-(5,6-difluoro-1H-indol-3-yl)pyrazole-4-carboxamide
CID 162444719
N-(5,6-difluoro-1H-indol-3-yl)-1-methyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 162444728
N-(6-chloro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 162444735
N-(7-fluoro-1H-pyrrolo[3,2-c]pyridin-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 162444749
N-(5-chloro-6-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 162444761

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 162444846) is N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is O=C(Nc1c[nH]c2cc(Cl)c(F)cc12)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is JQUVGORONGUTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF4N4O/c21-15-6-17-14(5-16(15)22)18(8-26-17)28-19(30)12-7-27-29(10-12)9-11-1-3-13(4-2-11)20(23,24)25/h1-8,10,26H,9H2,(H,28,30).
What are the key properties of N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide?
N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 436.80 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 162444846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).