3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide

C7H10BrN3O2 — CID 130752501

IUPAC3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide
SMILESCON(C)C(=O)c1cc(Br)nn1C
InChIInChI=1S/C7H10BrN3O2/c1-10-5(4-6(8)9-10)7(12)11(2)13-3/h4H,1-3H3
InChIKeyNTOWEVZEZRABDC-UHFFFAOYSA-N
MW248.08 g/mol
LogP0.82
Rot. Bonds2

About 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide

3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide (PubChem CID 130752501) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide
PubChem CID130752501
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide
SMILESCON(C)C(=O)c1cc(Br)nn1C
InChIInChI=1S/C7H10BrN3O2/c1-10-5(4-6(8)9-10)7(12)11(2)13-3/h4H,1-3H3
InChIKeyNTOWEVZEZRABDC-UHFFFAOYSA-N
XLogP0.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 50.82
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

3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide
CID 131153893
5-bromo-N-methoxy-N,1-dimethylindazole-3-carboxamide
CID 171512307
propan-2-yl 3-bromo-1-methylpyrazole-5-carboxylate
CID 130639093
4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60954917
2-(3-bromo-1-methylpyrazol-5-yl)-N,N,2-trimethylpropanamide
CID 118690456
N,4-dimethoxy-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 58072435
2-(3-bromo-2-fluorophenyl)-N-methoxy-N,5-dimethylpyrazole-3-carboxamide
CID 164944306
N-methoxy-N,1-dimethylbenzimidazole-5-carboxamide
CID 86665700
2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide
CID 118447589
4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide
CID 167451248
methyl 2-(3-bromo-1-methylpyrazol-5-yl)propanoate
CID 165490410
N-methoxy-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 60731291

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide (CID 130752501) is 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide is CON(C)C(=O)c1cc(Br)nn1C.
What is the InChIKey of 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide?
The InChIKey is NTOWEVZEZRABDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c1-10-5(4-6(8)9-10)7(12)11(2)13-3/h4H,1-3H3.
What are the key properties of 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide?
3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide has a molecular weight of 248.08 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 130752501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).