2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide

C12H10Br2FN3O2 — CID 118447589

IUPAC2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide
SMILESCON(C)C(=O)c1ccnn1-c1c(Br)cc(F)cc1Br
InChIInChI=1S/C12H10Br2FN3O2/c1-17(20-2)12(19)10-3-4-16-18(10)11-8(13)5-7(15)6-9(11)14/h3-6H,1-2H3
InChIKeyIQUUNIBISXZNBV-UHFFFAOYSA-N
MW407.04 g/mol
LogP3.17
Rot. Bonds3

About 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide

2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide (PubChem CID 118447589) has the molecular formula C12H10Br2FN3O2 and a molecular weight of 407.04 g/mol. Its IUPAC name is 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide
PubChem CID118447589
Molecular FormulaC12H10Br2FN3O2
Molecular Weight407.04 g/mol
Exact Mass404.91
IUPAC Name2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide
SMILESCON(C)C(=O)c1ccnn1-c1c(Br)cc(F)cc1Br
InChIInChI=1S/C12H10Br2FN3O2/c1-17(20-2)12(19)10-3-4-16-18(10)11-8(13)5-7(15)6-9(11)14/h3-6H,1-2H3
InChIKeyIQUUNIBISXZNBV-UHFFFAOYSA-N
XLogP3.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.04
LogP ≤ 53.17
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-5-fluoro-N-methoxy-N-methylpyridine-2-carboxamide
CID 133054949
2-(3-bromo-2-fluorophenyl)-N-methoxy-N,5-dimethylpyrazole-3-carboxamide
CID 164944306
3-bromo-N-methoxy-N,1-dimethylpyrazole-5-carboxamide
CID 130752501
4-bromo-2,3-difluoro-N-methoxy-N-methylbenzamide
CID 171366673
N-methoxy-2-[(4-methoxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 87192160
4-bromo-N-methoxy-N-methyl-1-propan-2-ylpyrrole-2-carboxamide
CID 60954917
4-bromo-N-methoxy-N,2,5-trimethylbenzamide
CID 123460356
8-bromo-N-methoxy-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 58449887
2-[[5-bromo-1-(4-fluorophenyl)indazol-6-yl]oxymethyl]-N-methoxy-N-methylpyridine-3-carboxamide
CID 87257801
4-bromo-1-ethyl-N-methoxy-N-methylpyrazole-3-carboxamide
CID 167451248
ethane;4-fluoro-N-methoxy-N-methylbenzamide;methanethiol
CID 143189438
3-bromo-6-chloro-N-methoxy-N-methylpyridine-2-carboxamide
CID 86666725

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide?
The IUPAC name of 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide (CID 118447589) is 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide is CON(C)C(=O)c1ccnn1-c1c(Br)cc(F)cc1Br.
What is the InChIKey of 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide?
The InChIKey is IQUUNIBISXZNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2FN3O2/c1-17(20-2)12(19)10-3-4-16-18(10)11-8(13)5-7(15)6-9(11)14/h3-6H,1-2H3.
What are the key properties of 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide?
2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide has a molecular weight of 407.04 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromo-4-fluorophenyl)-N-methoxy-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118447589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).