2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide

C12H17F4N3O — CID 19532167

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C12H17F4N3O/c1-6(2)5-17-12(20)7(3)19-9(11(15)16)4-8(18-19)10(13)14/h4,6-7,10-11H,5H2,1-3H3,(H,17,20)
InChIKeyBKYKNRIYQNHHKV-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.09
Rot. Bonds6

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 19532167) has the molecular formula C12H17F4N3O and a molecular weight of 295.28 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID19532167
Molecular FormulaC12H17F4N3O
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C12H17F4N3O/c1-6(2)5-17-12(20)7(3)19-9(11(15)16)4-8(18-19)10(13)14/h4,6-7,10-11H,5H2,1-3H3,(H,17,20)
InChIKeyBKYKNRIYQNHHKV-UHFFFAOYSA-N
XLogP3.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
CID 19532115
(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid
CID 7018497
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19532217
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19532090
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 19532088
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 19532382
N-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19532125
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
CID 47986094
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19532389
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]propanamide
CID 19532191
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532242

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide (CID 19532167) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)n1nc(C(F)F)cc1C(F)F.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is BKYKNRIYQNHHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3O/c1-6(2)5-17-12(20)7(3)19-9(11(15)16)4-8(18-19)10(13)14/h4,6-7,10-11H,5H2,1-3H3,(H,17,20).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 295.28 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 19532167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).