N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide

C16H16BrN3O — CID 154836216

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C16H16BrN3O/c17-13-10-18-20(11-13)15-8-4-3-7-14(15)19-16(21)9-12-5-1-2-6-12/h1,3-5,7-8,10-12H,2,6,9H2,(H,19,21)
InChIKeyBPAWWWWLCXRPSQ-UHFFFAOYSA-N
MW346.23 g/mol
LogP3.93
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide (PubChem CID 154836216) has the molecular formula C16H16BrN3O and a molecular weight of 346.23 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
PubChem CID154836216
Molecular FormulaC16H16BrN3O
Molecular Weight346.23 g/mol
Exact Mass345.05
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
SMILESO=C(CC1C=CCC1)Nc1ccccc1-n1cc(Br)cn1
InChIInChI=1S/C16H16BrN3O/c17-13-10-18-20(11-13)15-8-4-3-7-14(15)19-16(21)9-12-5-1-2-6-12/h1,3-5,7-8,10-12H,2,6,9H2,(H,19,21)
InChIKeyBPAWWWWLCXRPSQ-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
CID 55764653
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CID 51714392
2-cyclopent-2-en-1-yl-N-[2-(2,3-dihydroindol-1-yl)phenyl]acetamide
CID 43066797
2-cyclopent-2-en-1-yl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 18166613
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CID 86933649
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CID 51118797
2-[(1S)-cyclopent-2-en-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 51929140
N-(2-bromo-3-chlorophenyl)-2-cyclopent-2-en-1-ylacetamide
CID 103479839
N-(5-bromo-2-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43806493
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,4-dithiane-2-carboxamide
CID 86998596
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55699275
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55777756

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide (CID 154836216) is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide is O=C(CC1C=CCC1)Nc1ccccc1-n1cc(Br)cn1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is BPAWWWWLCXRPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O/c17-13-10-18-20(11-13)15-8-4-3-7-14(15)19-16(21)9-12-5-1-2-6-12/h1,3-5,7-8,10-12H,2,6,9H2,(H,19,21).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 346.23 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 154836216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).