N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide

C21H19BrClN3O2 — CID 19329951

IUPACN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide
SMILESCc1nn(CCCNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C21H19BrClN3O2/c1-14-19(22)13-26(25-14)12-4-11-24-21(28)18-6-3-2-5-17(18)20(27)15-7-9-16(23)10-8-15/h2-3,5-10,13H,4,11-12H2,1H3,(H,24,28)
InChIKeyANOPOPLDKCBZAL-UHFFFAOYSA-N
MW460.76 g/mol
LogP4.66
Rot. Bonds7

About N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide (PubChem CID 19329951) has the molecular formula C21H19BrClN3O2 and a molecular weight of 460.76 g/mol. Its IUPAC name is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide
PubChem CID19329951
Molecular FormulaC21H19BrClN3O2
Molecular Weight460.76 g/mol
Exact Mass459.03
IUPAC NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide
SMILESCc1nn(CCCNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1Br
InChIInChI=1S/C21H19BrClN3O2/c1-14-19(22)13-26(25-14)12-4-11-24-21(28)18-6-3-2-5-17(18)20(27)15-7-9-16(23)10-8-15/h2-3,5-10,13H,4,11-12H2,1H3,(H,24,28)
InChIKeyANOPOPLDKCBZAL-UHFFFAOYSA-N
XLogP4.66
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorobenzoyl)-N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19325848
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-iodobenzamide
CID 19328234
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19329942
1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea
CID 19334044
2-(4-methylbenzoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]benzamide
CID 19328159
4-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500308
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19329963
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-chloroacetamide
CID 19329976
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266293
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylpyrazole-3-carboxamide
CID 19475447

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide?
The IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide (CID 19329951) is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide.
What is the SMILES notation for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide?
The canonical SMILES for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide is Cc1nn(CCCNC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1Br.
What is the InChIKey of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide?
The InChIKey is ANOPOPLDKCBZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrClN3O2/c1-14-19(22)13-26(25-14)12-4-11-24-21(28)18-6-3-2-5-17(18)20(27)15-7-9-16(23)10-8-15/h2-3,5-10,13H,4,11-12H2,1H3,(H,24,28).
What are the key properties of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide?
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide has a molecular weight of 460.76 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide is sourced from PubChem (CID 19329951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).