5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

C19H20BrN3O3 — CID 4606194

IUPAC5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C19H20BrN3O3/c1-12-18(20)13(2)23(22-12)11-15-8-9-17(26-15)19(24)21-10-14-6-4-5-7-16(14)25-3/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyZICDUIYQAVIMDZ-UHFFFAOYSA-N
MW418.29 g/mol
LogP3.84
Rot. Bonds6

About 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 4606194) has the molecular formula C19H20BrN3O3 and a molecular weight of 418.29 g/mol. Its IUPAC name is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
PubChem CID4606194
Molecular FormulaC19H20BrN3O3
Molecular Weight418.29 g/mol
Exact Mass417.07
IUPAC Name5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1
InChIInChI=1S/C19H20BrN3O3/c1-12-18(20)13(2)23(22-12)11-15-8-9-17(26-15)19(24)21-10-14-6-4-5-7-16(14)25-3/h4-9H,10-11H2,1-3H3,(H,21,24)
InChIKeyZICDUIYQAVIMDZ-UHFFFAOYSA-N
XLogP3.84
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.29
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-methoxyethyl)furan-2-carboxamide
CID 19454922
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]furan-2-carboxamide
CID 19454899
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753490
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046099
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 19454971
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 736773
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 95749537
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-carboxamide
CID 19456583
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(3,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 1091794
N-[(2-methoxyphenyl)methyl]-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 3242702
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(1-ethyl-5-methylpyrazol-4-yl)furan-2-carboxamide
CID 19454915

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide (CID 4606194) is 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is COc1ccccc1CNC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1.
What is the InChIKey of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is ZICDUIYQAVIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3/c1-12-18(20)13(2)23(22-12)11-15-8-9-17(26-15)19(24)21-10-14-6-4-5-7-16(14)25-3/h4-9H,10-11H2,1-3H3,(H,21,24).
What are the key properties of 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide?
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 418.29 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 4606194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).