3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide

C10H16BrN3O2 — CID 19584321

IUPAC3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)Cn1cc(Br)cn1
InChIInChI=1S/C10H16BrN3O2/c1-8(10(15)12-3-4-16-2)6-14-7-9(11)5-13-14/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyXRZMZXKGEUQVGY-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.04
Rot. Bonds6

About 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide

3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide (PubChem CID 19584321) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide
PubChem CID19584321
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide
SMILESCOCCNC(=O)C(C)Cn1cc(Br)cn1
InChIInChI=1S/C10H16BrN3O2/c1-8(10(15)12-3-4-16-2)6-14-7-9(11)5-13-14/h5,7-8H,3-4,6H2,1-2H3,(H,12,15)
InChIKeyXRZMZXKGEUQVGY-UHFFFAOYSA-N
XLogP1.04
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.04
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-bromopyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 19537684
2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 19537733
2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
CID 19537734
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
3-(4-bromo-1H-pyrazol-1-yl)-2-methyl-N-(tetrahydrofuran-2-ylmethyl)propanamide
CID 19581987
N-(2-methoxyethyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 50952291
N-(1-methoxypropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 53532136
2-(4-bromopyrazol-1-yl)-N-[3-(2-methoxyethoxy)propyl]-2-methylpropanamide
CID 53545146
N-[2-(2-methoxyethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82993556
N-[2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]ethyl]-2,2-dimethylpropanamide
CID 86779530
2-cyclopropyl-N-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]acetamide
CID 121537029
2-[(2-methoxyethyl)(methyl)amino]-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]acetamide
CID 122567075

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide (CID 19584321) is 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide is COCCNC(=O)C(C)Cn1cc(Br)cn1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide?
The InChIKey is XRZMZXKGEUQVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-8(10(15)12-3-4-16-2)6-14-7-9(11)5-13-14/h5,7-8H,3-4,6H2,1-2H3,(H,12,15).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide?
3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide has a molecular weight of 290.16 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 19584321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).