4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C16H10BrCl3F3N5O — CID 19268371

IUPAC4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)c(Br)c1C(F)(F)F
InChIInChI=1S/C16H10BrCl3F3N5O/c1-27-13(16(21,22)23)11(17)12(25-27)15(29)24-14-10(20)6-28(26-14)5-7-8(18)3-2-4-9(7)19/h2-4,6H,5H2,1H3,(H,24,26,29)
InChIKeyLYEDZSBESOJKRV-UHFFFAOYSA-N
MW531.55 g/mol
LogP5.66
Rot. Bonds4

About 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19268371) has the molecular formula C16H10BrCl3F3N5O and a molecular weight of 531.55 g/mol. Its IUPAC name is 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19268371
Molecular FormulaC16H10BrCl3F3N5O
Molecular Weight531.55 g/mol
Exact Mass528.91
IUPAC Name4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)c(Br)c1C(F)(F)F
InChIInChI=1S/C16H10BrCl3F3N5O/c1-27-13(16(21,22)23)11(17)12(25-27)15(29)24-14-10(20)6-28(26-14)5-7-8(18)3-2-4-9(7)19/h2-4,6H,5H2,1H3,(H,24,26,29)
InChIKeyLYEDZSBESOJKRV-UHFFFAOYSA-N
XLogP5.66
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.55
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267965
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-chloro-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267982
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268317
4-chloro-N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19477019
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262558
2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19409055
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19522010
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513117
4-bromo-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268340
4-[[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496264
4-bromo-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268314
N-(1-benzyl-4-chloropyrazol-3-yl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267707

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19268371) is 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is Cn1nc(C(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)c(Br)c1C(F)(F)F.
What is the InChIKey of 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is LYEDZSBESOJKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrCl3F3N5O/c1-27-13(16(21,22)23)11(17)12(25-27)15(29)24-14-10(20)6-28(26-14)5-7-8(18)3-2-4-9(7)19/h2-4,6H,5H2,1H3,(H,24,26,29).
What are the key properties of 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 531.55 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).