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

C10H16BrN3O — CID 19517152

IUPAC2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)C)cc1Br
InChIInChI=1S/C10H16BrN3O/c1-7(2)4-12-10(15)6-14-5-9(11)8(3)13-14/h5,7H,4,6H2,1-3H3,(H,12,15)
InChIKeyGAFPOGASOGVVBY-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.73
Rot. Bonds4

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

2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 19517152) has the molecular formula C10H16BrN3O and a molecular weight of 274.16 g/mol. Its IUPAC name is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID19517152
Molecular FormulaC10H16BrN3O
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nn(CC(=O)NCC(C)C)cc1Br
InChIInChI=1S/C10H16BrN3O/c1-7(2)4-12-10(15)6-14-5-9(11)8(3)13-14/h5,7H,4,6H2,1-3H3,(H,12,15)
InChIKeyGAFPOGASOGVVBY-UHFFFAOYSA-N
XLogP1.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-methylpyrazol-1-yl)-N-prop-2-enylacetamide
CID 19517100
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1-phenylethyl)acetamide
CID 19517136
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282200
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 19517093
2-(4-bromo-3-methylpyrazol-1-yl)-N,N-bis(2-methylpropyl)acetamide
CID 4769388
2-(4-bromo-3-methylpyrazol-1-yl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346068
2-(4-aminopyrazol-1-yl)-N-(2-methylpropyl)acetamide
CID 43185729
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]acetamide
CID 19322755
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19516982
4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19267324
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 19517187
N-(2-methylpropyl)-2-(2,3,4-trimethylpyrrol-1-yl)acetamide
CID 63926258

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide (CID 19517152) is 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide is Cc1nn(CC(=O)NCC(C)C)cc1Br.
What is the InChIKey of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is GAFPOGASOGVVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O/c1-7(2)4-12-10(15)6-14-5-9(11)8(3)13-14/h5,7H,4,6H2,1-3H3,(H,12,15).
What are the key properties of 2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide?
2-(4-bromo-3-methylpyrazol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 274.16 g/mol, XLogP of 1.73, 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-(2-methylpropyl)acetamide is sourced from PubChem (CID 19517152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).