4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide

C18H16BrN3O2 — CID 55780337

IUPAC4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C18H16BrN3O2/c1-24-12-14-4-2-3-5-17(14)21-18(23)13-6-8-16(9-7-13)22-11-15(19)10-20-22/h2-11H,12H2,1H3,(H,21,23)
InChIKeyDDMATLZDUAOYEZ-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.03
Rot. Bonds5

About 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide

4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide (PubChem CID 55780337) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
PubChem CID55780337
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC Name4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
SMILESCOCc1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C18H16BrN3O2/c1-24-12-14-4-2-3-5-17(14)21-18(23)13-6-8-16(9-7-13)22-11-15(19)10-20-22/h2-11H,12H2,1H3,(H,21,23)
InChIKeyDDMATLZDUAOYEZ-UHFFFAOYSA-N
XLogP4.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

S-[2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579674
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795
4-(bromomethyl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 102851092
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273892
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
3-bromo-N-[2-(methoxymethyl)phenyl]-4-methylbenzamide
CID 79467282
(E)-3-[4-(4-bromopyrazol-1-yl)-3-fluorophenyl]-N-[2-(methoxymethyl)phenyl]prop-2-enamide
CID 86954073
4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887942
methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
CID 55670752
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 55699242

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide (CID 55780337) is 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide is COCc1ccccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide?
The InChIKey is DDMATLZDUAOYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-24-12-14-4-2-3-5-17(14)21-18(23)13-6-8-16(9-7-13)22-11-15(19)10-20-22/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide?
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide has a molecular weight of 386.25 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide is sourced from PubChem (CID 55780337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).