4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide

C15H18BrN3O — CID 35529421

IUPAC4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C15H18BrN3O/c1-11(2)7-17-15(20)13-5-3-12(4-6-13)9-19-10-14(16)8-18-19/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)
InChIKeyBWUDVBMYORZQSZ-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.08
Rot. Bonds5

About 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide

4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 35529421) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID35529421
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C15H18BrN3O/c1-11(2)7-17-15(20)13-5-3-12(4-6-13)9-19-10-14(16)8-18-19/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20)
InChIKeyBWUDVBMYORZQSZ-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide
CID 95756450
N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
CID 1014637
methyl 4-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]carbamothioylamino]benzoate
CID 5016743
4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35323499
3-[(4-chloropyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 3238106
1-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19271709
4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35323449
4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
CID 35323397
4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 3555189
5-[(4-bromopyrazol-1-yl)methyl]-N-[(2S)-3-methylbutan-2-yl]furan-2-carboxamide
CID 95280433
4-[(4-bromopyrazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 54909417

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide (CID 35529421) is 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is BWUDVBMYORZQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11(2)7-17-15(20)13-5-3-12(4-6-13)9-19-10-14(16)8-18-19/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,20).
What are the key properties of 4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide?
4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 336.23 g/mol, XLogP of 3.08, 5 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)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 35529421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).