4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide

C17H15BrF3N5O — CID 19267436

IUPAC4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C17H15BrF3N5O/c1-2-25-10-14(18)15(24-25)16(27)23-13-7-22-26(9-13)8-11-4-3-5-12(6-11)17(19,20)21/h3-7,9-10H,2,8H2,1H3,(H,23,27)
InChIKeyMGUHMJKWQJHQEF-UHFFFAOYSA-N
MW442.24 g/mol
LogP4.18
Rot. Bonds5

About 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide

4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19267436) has the molecular formula C17H15BrF3N5O and a molecular weight of 442.24 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19267436
Molecular FormulaC17H15BrF3N5O
Molecular Weight442.24 g/mol
Exact Mass441.04
IUPAC Name4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)n1
InChIInChI=1S/C17H15BrF3N5O/c1-2-25-10-14(18)15(24-25)16(27)23-13-7-22-26(9-13)8-11-4-3-5-12(6-11)17(19,20)21/h3-7,9-10H,2,8H2,1H3,(H,23,27)
InChIKeyMGUHMJKWQJHQEF-UHFFFAOYSA-N
XLogP4.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263426
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267419
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267428
4-iodo-1-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262047
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
4-chloro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346964
4-bromo-1-ethyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19267344
2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346909
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19517871
4-chloro-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19263418
4-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346921

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide (CID 19267436) is 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is MGUHMJKWQJHQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF3N5O/c1-2-25-10-14(18)15(24-25)16(27)23-13-7-22-26(9-13)8-11-4-3-5-12(6-11)17(19,20)21/h3-7,9-10H,2,8H2,1H3,(H,23,27).
What are the key properties of 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide?
4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 442.24 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19267436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).