4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide

C20H20BrN3O2 — CID 55887942

IUPAC4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C20H20BrN3O2/c1-13(2)26-18-8-9-19(14(3)10-18)23-20(25)15-4-6-17(7-5-15)24-12-16(21)11-22-24/h4-13H,1-3H3,(H,23,25)
InChIKeyGGCJKDCKAAPNAA-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.98
Rot. Bonds5

About 4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide

4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide (PubChem CID 55887942) has the molecular formula C20H20BrN3O2 and a molecular weight of 414.30 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
PubChem CID55887942
Molecular FormulaC20H20BrN3O2
Molecular Weight414.30 g/mol
Exact Mass413.07
IUPAC Name4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
SMILESCc1cc(OC(C)C)ccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C20H20BrN3O2/c1-13(2)26-18-8-9-19(14(3)10-18)23-20(25)15-4-6-17(7-5-15)24-12-16(21)11-22-24/h4-13H,1-3H3,(H,23,25)
InChIKeyGGCJKDCKAAPNAA-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromopyrazol-1-yl)-N-(4-methoxyphenyl)benzamide
CID 38761721
4-(4-bromopyrazol-1-yl)-N-(2-methoxy-5-methylphenyl)benzamide
CID 38761795
4-(4-bromopyrazol-1-yl)-N-(1-methylpyrazol-4-yl)benzamide
CID 32609396
4-(4-bromopyrazol-1-yl)-N-methylbenzamide
CID 47027650
4-(4-bromopyrazol-1-yl)-N-[2-(methoxymethyl)phenyl]benzamide
CID 55780337
N-(4-bromo-2-methylphenyl)-4-pyrazol-1-ylbenzamide
CID 71758813
S-[2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56579674
1-(4-bromophenyl)-N-(4,5-dimethoxy-2-methylphenyl)pyrazole-4-carboxamide
CID 55770669
methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
CID 55670752
N-(2-methyl-4-propan-2-yloxyphenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55888323
4-(4-bromopyrazol-1-yl)-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 46602048
2-bromo-N-(2-methyl-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103754715

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide (CID 55887942) is 4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide is Cc1cc(OC(C)C)ccc1NC(=O)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
The InChIKey is GGCJKDCKAAPNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O2/c1-13(2)26-18-8-9-19(14(3)10-18)23-20(25)15-4-6-17(7-5-15)24-12-16(21)11-22-24/h4-13H,1-3H3,(H,23,25).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
4-(4-bromopyrazol-1-yl)-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide has a molecular weight of 414.30 g/mol, XLogP of 4.98, 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-methyl-4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 55887942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).