4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C20H20BrN3O2 — CID 19393367

IUPAC4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C20H20BrN3O2/c1-13-19(14(2)24(3)23-13)22-20(25)16-10-8-15(9-11-16)12-26-18-7-5-4-6-17(18)21/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyQWHNVOJPGKAFCP-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.63
Rot. Bonds5

About 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 19393367) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID19393367
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C20H20BrN3O2/c1-13-19(14(2)24(3)23-13)22-20(25)16-10-8-15(9-11-16)12-26-18-7-5-4-6-17(18)21/h4-11H,12H2,1-3H3,(H,22,25)
InChIKeyQWHNVOJPGKAFCP-UHFFFAOYSA-N
XLogP4.63
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19405997
4-[(2-bromophenoxy)methyl]-N-(6-methyl-2-pyridinyl)benzamide
CID 1039541
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-3-carboxamide
CID 4766875
4-[(2-bromophenoxy)methyl]-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466770
3-[(2-bromophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19411839
4-[(2-bromophenoxy)methyl]-N-(4-carbamoylphenyl)benzamide
CID 4617873
3-[(3-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393406
4-[(2-bromophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400049
2-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393618
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338018
3-[(4-chloro-2-methylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393502
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19345449

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 19393367) is 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is QWHNVOJPGKAFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-13-19(14(2)24(3)23-13)22-20(25)16-10-8-15(9-11-16)12-26-18-7-5-4-6-17(18)21/h4-11H,12H2,1-3H3,(H,22,25).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 414.30 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 19393367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).