N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide

C17H22BrN3O — CID 19330154

IUPACN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCn2nc(C)c(Br)c2C)c(C)c1
InChIInChI=1S/C17H22BrN3O/c1-11-6-7-15(12(2)10-11)17(22)19-8-5-9-21-14(4)16(18)13(3)20-21/h6-7,10H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyAFSQHOJWXPANLQ-UHFFFAOYSA-N
MW364.29 g/mol
LogP3.70
Rot. Bonds5

About N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide (PubChem CID 19330154) has the molecular formula C17H22BrN3O and a molecular weight of 364.29 g/mol. Its IUPAC name is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
PubChem CID19330154
Molecular FormulaC17H22BrN3O
Molecular Weight364.29 g/mol
Exact Mass363.09
IUPAC NameN-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCn2nc(C)c(Br)c2C)c(C)c1
InChIInChI=1S/C17H22BrN3O/c1-11-6-7-15(12(2)10-11)17(22)19-8-5-9-21-14(4)16(18)13(3)20-21/h6-7,10H,5,8-9H2,1-4H3,(H,19,22)
InChIKeyAFSQHOJWXPANLQ-UHFFFAOYSA-N
XLogP3.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19329942
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
5-bromo-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]furan-2-carboxamide
CID 4772785
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethoxybenzamide
CID 4863020
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19325839
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-carboxamide
CID 35284531
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-(difluoromethoxy)benzamide
CID 19330082
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19561544
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzamide
CID 19330134
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 19477685
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(5-methylpyrazol-1-yl)propyl]benzamide
CID 19327860
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]benzamide
CID 19293753

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide (CID 19330154) is N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCn2nc(C)c(Br)c2C)c(C)c1.
What is the InChIKey of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide?
The InChIKey is AFSQHOJWXPANLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O/c1-11-6-7-15(12(2)10-11)17(22)19-8-5-9-21-14(4)16(18)13(3)20-21/h6-7,10H,5,8-9H2,1-4H3,(H,19,22).
What are the key properties of N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide?
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide has a molecular weight of 364.29 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 19330154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).