N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide

C19H18BrN3O — CID 45153767

IUPACN-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cc1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C19H18BrN3O/c1-14(23-13-17(20)12-21-23)19(24)22-18-10-6-5-9-16(18)11-15-7-3-2-4-8-15/h2-10,12-14H,11H2,1H3,(H,22,24)
InChIKeyZJVVOZIJILYWSF-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.44
Rot. Bonds5

About N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide

N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide (PubChem CID 45153767) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
PubChem CID45153767
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1Cc1ccccc1)n1cc(Br)cn1
InChIInChI=1S/C19H18BrN3O/c1-14(23-13-17(20)12-21-23)19(24)22-18-10-6-5-9-16(18)11-15-7-3-2-4-8-15/h2-10,12-14H,11H2,1H3,(H,22,24)
InChIKeyZJVVOZIJILYWSF-UHFFFAOYSA-N
XLogP4.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrazol-3-yl)-2-(4-bromopyrazol-1-yl)propanamide
CID 19286317
2-(4-bromopyrazol-1-yl)-N-quinolin-8-ylpropanamide
CID 45153810
(2S)-N-(2-benzylphenyl)-2-pyrrolidin-1-ylpropanamide
CID 32728580
4-[2-(4-bromopyrazol-1-yl)propanoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19406207
2-(4-bromopyrazol-1-yl)-N-[(2-chlorophenyl)methyl]propanamide
CID 56725410
2-(4-bromopyrazol-1-yl)-N-(1-phenylpropyl)propanamide
CID 19537559
(2S)-2-amino-N-(2-benzylphenyl)propanamide
CID 770490
(2S)-2-(4-bromopyrazol-1-yl)propanehydrazide
CID 7026116
2-(4-bromopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]propanamide
CID 45153789
2-(4-methylpyrazol-1-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 19534326
N-(2-benzylphenyl)-2-thiomorpholin-4-ylpropanamide
CID 71933436
(2S)-2-(4-bromopyrazol-1-yl)-N-propan-2-ylpropanamide
CID 35522913

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide?
The IUPAC name of N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide (CID 45153767) is N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide.
What is the SMILES notation for N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide?
The canonical SMILES for N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide is CC(C(=O)Nc1ccccc1Cc1ccccc1)n1cc(Br)cn1.
What is the InChIKey of N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide?
The InChIKey is ZJVVOZIJILYWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-14(23-13-17(20)12-21-23)19(24)22-18-10-6-5-9-16(18)11-15-7-3-2-4-8-15/h2-10,12-14H,11H2,1H3,(H,22,24).
What are the key properties of N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide?
N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide has a molecular weight of 384.28 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylphenyl)-2-(4-bromopyrazol-1-yl)propanamide is sourced from PubChem (CID 45153767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).