2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide

C14H16BrN3O — CID 19517136

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccccc2)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-10(12-6-4-3-5-7-12)16-14(19)9-18-8-13(15)11(2)17-18/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyXGTCPLQJGOJRCT-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.83
Rot. Bonds4

About 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide

2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide (PubChem CID 19517136) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
PubChem CID19517136
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
SMILESCc1nn(CC(=O)NC(C)c2ccccc2)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-10(12-6-4-3-5-7-12)16-14(19)9-18-8-13(15)11(2)17-18/h3-8,10H,9H2,1-2H3,(H,16,19)
InChIKeyXGTCPLQJGOJRCT-UHFFFAOYSA-N
XLogP2.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromopyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19524551
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19533359
2-(3-aminopyrazol-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 107863852
3-(4-chloro-3-methylpyrazol-1-yl)-N-(1-phenylethyl)propanamide
CID 19543983
2-[4-(aminomethyl)triazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 115459911
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 7348161
2-(3-methylindazol-1-yl)-N-(1-phenylethyl)acetamide
CID 22509769
2-(4-chloro-3-methylpyrazol-1-yl)-N-[1-(4-pyrrol-1-ylphenyl)ethyl]acetamide
CID 19521089
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 1080175
N-(1-phenylethyl)-2-pyrrol-1-ylacetamide
CID 20880526
2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 58592811
N-(1-benzyl-1,2,4-triazol-3-yl)-2-(4-bromo-3-methylpyrazol-1-yl)acetamide
CID 19517285

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide (CID 19517136) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide is Cc1nn(CC(=O)NC(C)c2ccccc2)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is XGTCPLQJGOJRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-10(12-6-4-3-5-7-12)16-14(19)9-18-8-13(15)11(2)17-18/h3-8,10H,9H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 322.21 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 19517136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).