4-(4-bromopyrazol-1-yl)-N-methylbenzamide

C11H10BrN3O — CID 47027650

IUPAC4-(4-bromopyrazol-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C11H10BrN3O/c1-13-11(16)8-2-4-10(5-3-8)15-7-9(12)6-14-15/h2-7H,1H3,(H,13,16)
InChIKeyVEXWKLLIPROWGR-UHFFFAOYSA-N
MW280.13 g/mol
LogP1.99
Rot. Bonds2

About 4-(4-bromopyrazol-1-yl)-N-methylbenzamide

4-(4-bromopyrazol-1-yl)-N-methylbenzamide (PubChem CID 47027650) has the molecular formula C11H10BrN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-methylbenzamide
PubChem CID47027650
Molecular FormulaC11H10BrN3O
Molecular Weight280.13 g/mol
Exact Mass279.00
IUPAC Name4-(4-bromopyrazol-1-yl)-N-methylbenzamide
SMILESCNC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C11H10BrN3O/c1-13-11(16)8-2-4-10(5-3-8)15-7-9(12)6-14-15/h2-7H,1H3,(H,13,16)
InChIKeyVEXWKLLIPROWGR-UHFFFAOYSA-N
XLogP1.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 46602048
4-(4-bromopyrazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 35697497
4-(4-bromopyrazol-1-yl)-N-(1-pyridin-2-ylethyl)benzamide
CID 55629173
4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide
CID 166241421
4-bromo-1-(4-bromophenyl)pyrazole
CID 15940041
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
4-(4-bromopyrazol-1-yl)benzenecarbothioamide
CID 61034766
S-[2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579674
4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55887942

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-methylbenzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-methylbenzamide (CID 47027650) is 4-(4-bromopyrazol-1-yl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-methylbenzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-methylbenzamide is CNC(=O)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-methylbenzamide?
The InChIKey is VEXWKLLIPROWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c1-13-11(16)8-2-4-10(5-3-8)15-7-9(12)6-14-15/h2-7H,1H3,(H,13,16).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-methylbenzamide?
4-(4-bromopyrazol-1-yl)-N-methylbenzamide has a molecular weight of 280.13 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-methylbenzamide is sourced from PubChem (CID 47027650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).