4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide

C16H14Br2ClN5O — CID 19284270

IUPAC4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)n1
InChIInChI=1S/C16H14Br2ClN5O/c1-2-23-8-12(17)14(21-23)16(25)20-15-13(18)9-24(22-15)7-10-3-5-11(19)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,20,22,25)
InChIKeyARESHLYJISXCFF-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.58
Rot. Bonds5

About 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide

4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide (PubChem CID 19284270) has the molecular formula C16H14Br2ClN5O and a molecular weight of 487.58 g/mol. Its IUPAC name is 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
PubChem CID19284270
Molecular FormulaC16H14Br2ClN5O
Molecular Weight487.58 g/mol
Exact Mass484.93
IUPAC Name4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)n1
InChIInChI=1S/C16H14Br2ClN5O/c1-2-23-8-12(17)14(21-23)16(25)20-15-13(18)9-24(22-15)7-10-3-5-11(19)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,20,22,25)
InChIKeyARESHLYJISXCFF-UHFFFAOYSA-N
XLogP4.58
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
4-bromo-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19283969
4,5-dibromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19284303
4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498483
1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-butylurea
CID 19405684
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
4-bromo-N-(2,5-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 1210310
4-bromo-N-(2,6-dichlorophenyl)-1-ethylpyrazole-3-carboxamide
CID 19267283
4-bromo-1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401719
N-(1-benzyl-4-chloropyrazol-3-yl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 19263402
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443602
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloropyrazol-1-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19441945

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide (CID 19284270) is 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)n1.
What is the InChIKey of 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
The InChIKey is ARESHLYJISXCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2ClN5O/c1-2-23-8-12(17)14(21-23)16(25)20-15-13(18)9-24(22-15)7-10-3-5-11(19)6-4-10/h3-6,8-9H,2,7H2,1H3,(H,20,22,25).
What are the key properties of 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide?
4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19284270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).