N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide

C20H20BrN3O3 — CID 19296435

IUPACN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(=O)NCc3c(Br)cnn3C)cc2)cc1
InChIInChI=1S/C20H20BrN3O3/c1-24-19(18(21)11-23-24)12-22-20(25)15-5-3-14(4-6-15)13-27-17-9-7-16(26-2)8-10-17/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyNXIVOGKOWFWRIX-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.70
Rot. Bonds7

About N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide

N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide (PubChem CID 19296435) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
PubChem CID19296435
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC NameN-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide
SMILESCOc1ccc(OCc2ccc(C(=O)NCc3c(Br)cnn3C)cc2)cc1
InChIInChI=1S/C20H20BrN3O3/c1-24-19(18(21)11-23-24)12-22-20(25)15-5-3-14(4-6-15)13-27-17-9-7-16(26-2)8-10-17/h3-11H,12-13H2,1-2H3,(H,22,25)
InChIKeyNXIVOGKOWFWRIX-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(4-bromo-1-methylpyrazol-5-yl)methylcarbamoyl]benzoate
CID 19296541
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
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-[(4-chlorophenoxy)methyl]-4-methoxybenzamide
CID 19296430
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19296406
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19283405
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]-N-methylthiophene-2-carboxamide
CID 19502981
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(4-chlorophenoxy)methyl]benzamide
CID 19296860
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(difluoromethoxy)benzamide
CID 19296446
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(4-tert-butylphenoxy)methyl]benzamide
CID 19323155

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide (CID 19296435) is N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide is COc1ccc(OCc2ccc(C(=O)NCc3c(Br)cnn3C)cc2)cc1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
The InChIKey is NXIVOGKOWFWRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-24-19(18(21)11-23-24)12-22-20(25)15-5-3-14(4-6-15)13-27-17-9-7-16(26-2)8-10-17/h3-11H,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide?
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-4-[(4-methoxyphenoxy)methyl]benzamide has a molecular weight of 430.30 g/mol, XLogP of 3.70, 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]-4-[(4-methoxyphenoxy)methyl]benzamide is sourced from PubChem (CID 19296435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).