5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide

C8H10BrF2N3O — CID 130774403

IUPAC5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1Br)C(F)F
InChIInChI=1S/C8H10BrF2N3O/c1-4(7(10)11)13-8(15)5-3-12-14(2)6(5)9/h3-4,7H,1-2H3,(H,13,15)
InChIKeyHWYHOVZSQKBTNS-UHFFFAOYSA-N
MW282.09 g/mol
LogP1.57
Rot. Bonds3

About 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide

5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 130774403) has the molecular formula C8H10BrF2N3O and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID130774403
Molecular FormulaC8H10BrF2N3O
Molecular Weight282.09 g/mol
Exact Mass281.00
IUPAC Name5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C)c1Br)C(F)F
InChIInChI=1S/C8H10BrF2N3O/c1-4(7(10)11)13-8(15)5-3-12-14(2)6(5)9/h3-4,7H,1-2H3,(H,13,15)
InChIKeyHWYHOVZSQKBTNS-UHFFFAOYSA-N
XLogP1.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(difluoromethyl)-1-prop-2-enylpyrazole-4-carboxamide
CID 57217965
N-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 66660851
N-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxamide
CID 89972148
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-(trifluoromethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazole-4-carboxamide
CID 153675717
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-tert-butylpyrazole-4-carboxamide
CID 154637469
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrazole-4-carboxamide
CID 154637493
N-tert-butyl-1-[(E)-3-fluoro-2-(methylaminomethyl)prop-2-enyl]pyrazole-4-carboxamide
CID 154989011

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide (CID 130774403) is 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide is CC(NC(=O)c1cnn(C)c1Br)C(F)F.
What is the InChIKey of 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is HWYHOVZSQKBTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3O/c1-4(7(10)11)13-8(15)5-3-12-14(2)6(5)9/h3-4,7H,1-2H3,(H,13,15).
What are the key properties of 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide?
5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 282.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,1-difluoropropan-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 130774403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).