1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide

C17H16Br2ClN5O2 — CID 19274596

IUPAC1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccn(COc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C17H16Br2ClN5O2/c1-2-25-15(13(19)8-22-25)9-21-17(26)14-5-6-24(23-14)10-27-16-4-3-11(20)7-12(16)18/h3-8H,2,9-10H2,1H3,(H,21,26)
InChIKeyVMBJGWPIKSQIHY-UHFFFAOYSA-N
MW517.61 g/mol
LogP4.24
Rot. Bonds7

About 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide

1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19274596) has the molecular formula C17H16Br2ClN5O2 and a molecular weight of 517.61 g/mol. Its IUPAC name is 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID19274596
Molecular FormulaC17H16Br2ClN5O2
Molecular Weight517.61 g/mol
Exact Mass514.94
IUPAC Name1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccn(COc2ccc(Cl)cc2Br)n1
InChIInChI=1S/C17H16Br2ClN5O2/c1-2-25-15(13(19)8-22-25)9-21-17(26)14-5-6-24(23-14)10-27-16-4-3-11(20)7-12(16)18/h3-8H,2,9-10H2,1H3,(H,21,26)
InChIKeyVMBJGWPIKSQIHY-UHFFFAOYSA-N
XLogP4.24
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296859
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278699
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280097
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273276
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296849
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 19274585
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19274612
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-[(2,3-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19296854
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19274625
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19274397
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(1,5-dimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 4777025
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19274591

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide (CID 19274596) is 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide is CCn1ncc(Br)c1CNC(=O)c1ccn(COc2ccc(Cl)cc2Br)n1.
What is the InChIKey of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is VMBJGWPIKSQIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Br2ClN5O2/c1-2-25-15(13(19)8-22-25)9-21-17(26)14-5-6-24(23-14)10-27-16-4-3-11(20)7-12(16)18/h3-8H,2,9-10H2,1H3,(H,21,26).
What are the key properties of 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide?
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-chlorophenoxy)methyl]-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19274596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).