N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide

C19H18BrN3O — CID 19323151

IUPACN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18BrN3O/c1-2-23-18(17(20)12-22-23)13-21-19(24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyCHPAGCQJLGOLSI-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.26
Rot. Bonds5

About N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide

N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide (PubChem CID 19323151) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide
PubChem CID19323151
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide
SMILESCCn1ncc(Br)c1CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18BrN3O/c1-2-23-18(17(20)12-22-23)13-21-19(24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,21,24)
InChIKeyCHPAGCQJLGOLSI-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(4-bromo-1-ethylpyrazol-5-yl)methylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500739
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
CID 19322995
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
CID 19323020
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 19323161
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19323105
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(4-tert-butylphenoxy)methyl]benzamide
CID 19323155
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513750
methyl 4-[(4-bromo-1-methylpyrazol-5-yl)methylcarbamoyl]benzoate
CID 19296541
4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480556
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281732
2-(benzotriazol-1-yl)-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]acetamide
CID 19323056
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19323046

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide?
The IUPAC name of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide (CID 19323151) is N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide.
What is the SMILES notation for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide?
The canonical SMILES for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide is CCn1ncc(Br)c1CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide?
The InChIKey is CHPAGCQJLGOLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-2-23-18(17(20)12-22-23)13-21-19(24)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,21,24).
What are the key properties of N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide?
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide has a molecular weight of 384.28 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-4-phenylbenzamide is sourced from PubChem (CID 19323151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).