4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide

C20H20BrN3O3 — CID 55604797

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c(OC)c1
InChIInChI=1S/C20H20BrN3O3/c1-12-19(21)13(2)24(23-12)15-7-5-14(6-8-15)20(25)22-17-10-9-16(26-3)11-18(17)27-4/h5-11H,1-4H3,(H,22,25)
InChIKeyJBCYJIMKUUWPSB-UHFFFAOYSA-N
MW430.30 g/mol
LogP4.52
Rot. Bonds5

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide (PubChem CID 55604797) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide
PubChem CID55604797
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c(OC)c1
InChIInChI=1S/C20H20BrN3O3/c1-12-19(21)13(2)24(23-12)15-7-5-14(6-8-15)20(25)22-17-10-9-16(26-3)11-18(17)27-4/h5-11H,1-4H3,(H,22,25)
InChIKeyJBCYJIMKUUWPSB-UHFFFAOYSA-N
XLogP4.52
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-methoxy-2-pyridinyl)benzamide
CID 51130450
N-(2,4-dimethoxyphenyl)-4-pyrrol-1-ylbenzamide
CID 24536376
N-(2,4-dimethoxyphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18104017
methyl 3-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-hydroxybenzoate
CID 56543320
N-(5-chloro-2,4-dimethoxyphenyl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 42057925
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(4-acetamido-3-chlorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 46408440
N-(5-acetamido-2-fluorophenyl)-4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 55608701
1-N-(2,4-dimethoxyphenyl)-4-N-propan-2-ylbenzene-1,4-dicarboxamide
CID 109043198
N-(2,4-dimethoxyphenyl)-3,6-dimethyl-1-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 20928182

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide (CID 55604797) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(-n3nc(C)c(Br)c3C)cc2)c(OC)c1.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide?
The InChIKey is JBCYJIMKUUWPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-12-19(21)13(2)24(23-12)15-7-5-14(6-8-15)20(25)22-17-10-9-16(26-3)11-18(17)27-4/h5-11H,1-4H3,(H,22,25).
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide has a molecular weight of 430.30 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 55604797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).