1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide

C20H20BrN3O3 — CID 55658006

IUPAC1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C20H20BrN3O3/c1-14-19(13-22-24(14)17-7-3-15(21)4-8-17)20(25)23-16-5-9-18(10-6-16)27-12-11-26-2/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyZUITZHWCEDYPFI-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.22
Rot. Bonds7

About 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide (PubChem CID 55658006) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
PubChem CID55658006
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C20H20BrN3O3/c1-14-19(13-22-24(14)17-7-3-15(21)4-8-17)20(25)23-16-5-9-18(10-6-16)27-12-11-26-2/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyZUITZHWCEDYPFI-UHFFFAOYSA-N
XLogP4.22
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 46562409
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide
CID 33325210
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721
1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 37120145
1-(4-chlorophenyl)-N-[4-(cyanomethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 24629643
1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 55892348
1-(4-bromophenyl)-N-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 31940513
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
N-(1-benzylpyrazol-4-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 55947460
1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
CID 60616920

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide (CID 55658006) is 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide is COCCOc1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is ZUITZHWCEDYPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-14-19(13-22-24(14)17-7-3-15(21)4-8-17)20(25)23-16-5-9-18(10-6-16)27-12-11-26-2/h3-10,13H,11-12H2,1-2H3,(H,23,25).
What are the key properties of 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 430.30 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55658006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).