N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide

C20H19BrClN3O3 — CID 19296430

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2c(Br)cnn2C)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C20H19BrClN3O3/c1-25-18(17(21)10-24-25)11-23-20(26)13-3-8-19(27-2)14(9-13)12-28-16-6-4-15(22)5-7-16/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyFAZSQCYLLBKMBT-UHFFFAOYSA-N
MW464.75 g/mol
LogP4.35
Rot. Bonds7

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide (PubChem CID 19296430) has the molecular formula C20H19BrClN3O3 and a molecular weight of 464.75 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
PubChem CID19296430
Molecular FormulaC20H19BrClN3O3
Molecular Weight464.75 g/mol
Exact Mass463.03
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2c(Br)cnn2C)cc1COc1ccc(Cl)cc1
InChIInChI=1S/C20H19BrClN3O3/c1-25-18(17(21)10-24-25)11-23-20(26)13-3-8-19(27-2)14(9-13)12-28-16-6-4-15(22)5-7-16/h3-10H,11-12H2,1-2H3,(H,23,26)
InChIKeyFAZSQCYLLBKMBT-UHFFFAOYSA-N
XLogP4.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.75
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19296435
3-[(4-chlorophenoxy)methyl]-4-methoxy-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328023
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19336598
4-[[3-[(4-chlorophenoxy)methyl]-4-methoxybenzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341823
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19331299
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19322891
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,5-dimethoxybenzamide
CID 19296461
3-[(4-chlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methoxy-N-methylbenzamide
CID 19456362
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,5-dimethylphenoxy)methyl]-4-methoxybenzamide
CID 19323074
methyl 4-[(4-bromo-1-methylpyrazol-5-yl)methylcarbamoyl]benzoate
CID 19296541
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19325756
3-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-4-methoxybenzamide
CID 19467120

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide (CID 19296430) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2c(Br)cnn2C)cc1COc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide?
The InChIKey is FAZSQCYLLBKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrClN3O3/c1-25-18(17(21)10-24-25)11-23-20(26)13-3-8-19(27-2)14(9-13)12-28-16-6-4-15(22)5-7-16/h3-10H,11-12H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide has a molecular weight of 464.75 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide is sourced from PubChem (CID 19296430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).