N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide

C18H17BrF3N5O2 — CID 19278371

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H17BrF3N5O2/c1-25(10-16-14(19)9-23-26(16)2)17(28)15-6-7-27(24-15)11-29-13-5-3-4-12(8-13)18(20,21)22/h3-9H,10-11H2,1-2H3
InChIKeyOHEVEOYEJQFDDI-UHFFFAOYSA-N
MW472.27 g/mol
LogP3.71
Rot. Bonds6

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (PubChem CID 19278371) has the molecular formula C18H17BrF3N5O2 and a molecular weight of 472.27 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
PubChem CID19278371
Molecular FormulaC18H17BrF3N5O2
Molecular Weight472.27 g/mol
Exact Mass471.05
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H17BrF3N5O2/c1-25(10-16-14(19)9-23-26(16)2)17(28)15-6-7-27(24-15)11-29-13-5-3-4-12(8-13)18(20,21)22/h3-9H,10-11H2,1-2H3
InChIKeyOHEVEOYEJQFDDI-UHFFFAOYSA-N
XLogP3.71
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278361
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19279042
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-1-[(2,4-dichlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278589
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19278358
N-[2-(4-bromopyrazol-1-yl)ethyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19282910
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278482
N-(2-methylpropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265450
N-[3-(4-methylpyrazol-1-yl)propyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19328136
N-[(1,5-dimethylpyrazol-3-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19329042
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19278351
N-(3-methoxypropyl)-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265646
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide
CID 19265454

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide (CID 19278371) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is CN(Cc1c(Br)cnn1C)C(=O)c1ccn(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
The InChIKey is OHEVEOYEJQFDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrF3N5O2/c1-25(10-16-14(19)9-23-26(16)2)17(28)15-6-7-27(24-15)11-29-13-5-3-4-12(8-13)18(20,21)22/h3-9H,10-11H2,1-2H3.
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide has a molecular weight of 472.27 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N-methyl-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19278371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).