2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide

C11H13F4N3O — CID 19532115

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C11H13F4N3O/c1-3-4-16-11(19)6(2)18-8(10(14)15)5-7(17-18)9(12)13/h3,5-6,9-10H,1,4H2,2H3,(H,16,19)
InChIKeyZCSIUUVQQDZRKQ-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.62
Rot. Bonds6

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

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide (PubChem CID 19532115) has the molecular formula C11H13F4N3O and a molecular weight of 279.24 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
PubChem CID19532115
Molecular FormulaC11H13F4N3O
Molecular Weight279.24 g/mol
Exact Mass279.10
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C11H13F4N3O/c1-3-4-16-11(19)6(2)18-8(10(14)15)5-7(17-18)9(12)13/h3,5-6,9-10H,1,4H2,2H3,(H,16,19)
InChIKeyZCSIUUVQQDZRKQ-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-methylpropyl)propanamide
CID 19532167
(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-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide
CID 19534633
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
CID 19532090
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 19532382
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19532125
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-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19532244
N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539324
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-prop-2-enylpropanamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide (CID 19532115) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)n1nc(C(F)F)cc1C(F)F.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is ZCSIUUVQQDZRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3O/c1-3-4-16-11(19)6(2)18-8(10(14)15)5-7(17-18)9(12)13/h3,5-6,9-10H,1,4H2,2H3,(H,16,19).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 279.24 g/mol, XLogP of 2.62, 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-prop-2-enylpropanamide is sourced from PubChem (CID 19532115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).