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

C16H18BrN3O — CID 95756450

IUPAC4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide
SMILESO=C(NCC1CCC1)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C16H18BrN3O/c17-15-9-19-20(11-15)10-13-4-6-14(7-5-13)16(21)18-8-12-2-1-3-12/h4-7,9,11-12H,1-3,8,10H2,(H,18,21)
InChIKeyOWEHJRFOLVGQIN-UHFFFAOYSA-N
MW348.24 g/mol
LogP3.22
Rot. Bonds5

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

4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide (PubChem CID 95756450) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide
PubChem CID95756450
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide
SMILESO=C(NCC1CCC1)c1ccc(Cn2cc(Br)cn2)cc1
InChIInChI=1S/C16H18BrN3O/c17-15-9-19-20(11-15)10-13-4-6-14(7-5-13)16(21)18-8-12-2-1-3-12/h4-7,9,11-12H,1-3,8,10H2,(H,18,21)
InChIKeyOWEHJRFOLVGQIN-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-bromopyrazol-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 35529421
[4-[(4-bromopyrazol-1-yl)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 45147653
4-[(4-bromopyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35323499
1-[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
CID 35524429
4-[(4-bromopyrazol-1-yl)methyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35323449
methyl 4-[[4-[(4-bromopyrazol-1-yl)methyl]benzoyl]carbamothioylamino]benzoate
CID 5016743
4-[(4-bromopyrazol-1-yl)methyl]-N-(4-chloro-2-fluorophenyl)benzamide
CID 35323397
N-(2-bromo-4-methylphenyl)-4-[(4-bromopyrazol-1-yl)methyl]benzamide
CID 1014637
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-4-hydroxybenzamide
CID 58933474
4-[(4-bromopyrazol-1-yl)methyl]-N-[(4-methoxyphenyl)carbamothioyl]benzamide
CID 3555189
1-benzyl-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]pyrazole-4-carboxamide
CID 94006503
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-(cyclobutylmethyl)benzamide?
The IUPAC name of 4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide (CID 95756450) is 4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide.
What is the SMILES notation for 4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide?
The canonical SMILES for 4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide is O=C(NCC1CCC1)c1ccc(Cn2cc(Br)cn2)cc1.
What is the InChIKey of 4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide?
The InChIKey is OWEHJRFOLVGQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-15-9-19-20(11-15)10-13-4-6-14(7-5-13)16(21)18-8-12-2-1-3-12/h4-7,9,11-12H,1-3,8,10H2,(H,18,21).
What are the key properties of 4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide?
4-[(4-bromopyrazol-1-yl)methyl]-N-(cyclobutylmethyl)benzamide has a molecular weight of 348.24 g/mol, XLogP of 3.22, 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-(cyclobutylmethyl)benzamide is sourced from PubChem (CID 95756450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).