4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide

C8H12BrN3O2 — CID 167451248

IUPAC4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)N(C)OC)n1
InChIInChI=1S/C8H12BrN3O2/c1-4-12-5-6(9)7(10-12)8(13)11(2)14-3/h5H,4H2,1-3H3
InChIKeyTZZYKAAZHFFLDS-UHFFFAOYSA-N
MW262.11 g/mol
LogP1.30
Rot. Bonds3

About 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide

4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide (PubChem CID 167451248) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide
PubChem CID167451248
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(Br)c(C(=O)N(C)OC)n1
InChIInChI=1S/C8H12BrN3O2/c1-4-12-5-6(9)7(10-12)8(13)11(2)14-3/h5H,4H2,1-3H3
InChIKeyTZZYKAAZHFFLDS-UHFFFAOYSA-N
XLogP1.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-methoxy-N,1-dimethylpyrazole-3-carboxamide
CID 54393293
(Z)-1-(4-bromo-1-ethylpyrazol-3-yl)-3-(dimethylamino)prop-2-en-1-one
CID 17024621
4-bromo-1-ethyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19278178
4-bromo-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19267324
4-bromo-1-ethyl-N-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 973635
dimethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19267253
4-bromo-1-ethyl-N-[(4-methoxyphenyl)carbamothioyl]pyrazole-3-carboxamide
CID 3435911
4-bromo-N-[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]-1-ethylpyrazole-3-carboxamide
CID 19267522
methyl 2-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzoate
CID 994072
4-bromo-1-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 39854418
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19451851
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 19451982

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide (CID 167451248) is 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide is CCn1cc(Br)c(C(=O)N(C)OC)n1.
What is the InChIKey of 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide?
The InChIKey is TZZYKAAZHFFLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-4-12-5-6(9)7(10-12)8(13)11(2)14-3/h5H,4H2,1-3H3.
What are the key properties of 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide?
4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide has a molecular weight of 262.11 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 167451248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).