4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide

C23H26BrN3O4 — CID 19476759

IUPAC4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide
SMILESCCOc1ccc(COc2ccc(NC(=O)c3c(Br)cnn3CC)cc2)cc1OCC
InChIInChI=1S/C23H26BrN3O4/c1-4-27-22(19(24)14-25-27)23(28)26-17-8-10-18(11-9-17)31-15-16-7-12-20(29-5-2)21(13-16)30-6-3/h7-14H,4-6,15H2,1-3H3,(H,26,28)
InChIKeyAIZKZSRZOGPTRH-UHFFFAOYSA-N
MW488.38 g/mol
LogP5.29
Rot. Bonds10

About 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide

4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 19476759) has the molecular formula C23H26BrN3O4 and a molecular weight of 488.38 g/mol. Its IUPAC name is 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide
PubChem CID19476759
Molecular FormulaC23H26BrN3O4
Molecular Weight488.38 g/mol
Exact Mass487.11
IUPAC Name4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide
SMILESCCOc1ccc(COc2ccc(NC(=O)c3c(Br)cnn3CC)cc2)cc1OCC
InChIInChI=1S/C23H26BrN3O4/c1-4-27-22(19(24)14-25-27)23(28)26-17-8-10-18(11-9-17)31-15-16-7-12-20(29-5-2)21(13-16)30-6-3/h7-14H,4-6,15H2,1-3H3,(H,26,28)
InChIKeyAIZKZSRZOGPTRH-UHFFFAOYSA-N
XLogP5.29
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.38
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-(4-bromophenyl)-1-ethylpyrazole-5-carboxamide
CID 35522791
4,5-dibromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1H-pyrazole-3-carboxamide
CID 19508579
4-bromo-N-(4-cyanophenyl)-1-ethylpyrazole-5-carboxamide
CID 39854861
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(5-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522576
4-bromo-N-(3,4-dimethylphenyl)-1-ethylpyrazole-5-carboxamide
CID 892389
1-[(4-bromo-2-chlorophenoxy)methyl]-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]pyrazole-3-carboxamide
CID 19274836
2-[3-[[4-[(3,4-diethoxyphenyl)methoxy]phenyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504250
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516042
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19263994
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508271
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448207
N-[1-[(3,4-diethoxyphenyl)methyl]pyrazol-4-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19338461

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide (CID 19476759) is 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide is CCOc1ccc(COc2ccc(NC(=O)c3c(Br)cnn3CC)cc2)cc1OCC.
What is the InChIKey of 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is AIZKZSRZOGPTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN3O4/c1-4-27-22(19(24)14-25-27)23(28)26-17-8-10-18(11-9-17)31-15-16-7-12-20(29-5-2)21(13-16)30-6-3/h7-14H,4-6,15H2,1-3H3,(H,26,28).
What are the key properties of 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide?
4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 488.38 g/mol, XLogP of 5.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19476759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).