5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide

C7H9BrFN3O — CID 131223958

IUPAC5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCF)c1Br
InChIInChI=1S/C7H9BrFN3O/c1-12-6(8)5(4-11-12)7(13)10-3-2-9/h4H,2-3H2,1H3,(H,10,13)
InChIKeyMSARPIKUTPJLPC-UHFFFAOYSA-N
MW250.07 g/mol
LogP0.88
Rot. Bonds3

About 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide

5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide (PubChem CID 131223958) has the molecular formula C7H9BrFN3O and a molecular weight of 250.07 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide
PubChem CID131223958
Molecular FormulaC7H9BrFN3O
Molecular Weight250.07 g/mol
Exact Mass248.99
IUPAC Name5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCF)c1Br
InChIInChI=1S/C7H9BrFN3O/c1-12-6(8)5(4-11-12)7(13)10-3-2-9/h4H,2-3H2,1H3,(H,10,13)
InChIKeyMSARPIKUTPJLPC-UHFFFAOYSA-N
XLogP0.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.07
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 66660851
N-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 67041891
5-Fluoro-1-methyl-1H-pyrazole-4-carboxamide
CID 67240176
N-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 89972148
1-(2-Fluoroethyl)-1H-pyrazole-4-carboxamide
CID 131018030
5-fluoro-N,1-dimethylpyrazole-4-carboxamide
CID 141441037
3-fluoro-1-methyl-N-propylpyrazole-4-carboxamide
CID 150540323
N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide
CID 151195460
N-cyclopropyl-3-fluoro-1-methylpyrazole-4-carboxamide
CID 151321504
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrazole-4-carboxamide
CID 154637437
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-cyclopropylpyrazole-4-carboxamide
CID 154637447
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N,N-dimethylpyrazole-4-carboxamide
CID 154637449

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide (CID 131223958) is 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NCCF)c1Br.
What is the InChIKey of 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is MSARPIKUTPJLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrFN3O/c1-12-6(8)5(4-11-12)7(13)10-3-2-9/h4H,2-3H2,1H3,(H,10,13).
What are the key properties of 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide?
5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 250.07 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoroethyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 131223958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).