1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide

C13H13BrClN3O2 — CID 19274911

IUPAC1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
SMILESCCNC(=O)c1ccn(COc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C13H13BrClN3O2/c1-2-16-13(19)11-5-6-18(17-11)8-20-12-4-3-9(14)7-10(12)15/h3-7H,2,8H2,1H3,(H,16,19)
InChIKeyGWWKALSFMXCULX-UHFFFAOYSA-N
MW358.62 g/mol
LogP3.09
Rot. Bonds5

About 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide

1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide (PubChem CID 19274911) has the molecular formula C13H13BrClN3O2 and a molecular weight of 358.62 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
PubChem CID19274911
Molecular FormulaC13H13BrClN3O2
Molecular Weight358.62 g/mol
Exact Mass356.99
IUPAC Name1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
SMILESCCNC(=O)c1ccn(COc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C13H13BrClN3O2/c1-2-16-13(19)11-5-6-18(17-11)8-20-12-4-3-9(14)7-10(12)15/h3-7H,2,8H2,1H3,(H,16,19)
InChIKeyGWWKALSFMXCULX-UHFFFAOYSA-N
XLogP3.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbohydrazide
CID 7017684
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19274914
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19274844
1-[(4-bromo-2-chlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19274760
1-[(4-bromophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19272514
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(3-chloro-2-methylphenyl)pyrazole-3-carboxamide
CID 19274648
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393571
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 19274651
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278714
4-[[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19274897
1-[(4-bromo-2-chlorophenoxy)methyl]-N-(4-nitrophenyl)pyrazole-3-carboxamide
CID 19274647
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19401856

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide?
The IUPAC name of 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide (CID 19274911) is 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide is CCNC(=O)c1ccn(COc2ccc(Br)cc2Cl)n1.
What is the InChIKey of 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide?
The InChIKey is GWWKALSFMXCULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2/c1-2-16-13(19)11-5-6-18(17-11)8-20-12-4-3-9(14)7-10(12)15/h3-7H,2,8H2,1H3,(H,16,19).
What are the key properties of 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide?
1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide has a molecular weight of 358.62 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19274911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).