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

C14H13F4N3O2 — CID 19532090

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1O)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C14H13F4N3O2/c1-7(14(23)19-8-4-2-3-5-11(8)22)21-10(13(17)18)6-9(20-21)12(15)16/h2-7,12-13,22H,1H3,(H,19,23)
InChIKeyZZPQGJIIOPONOZ-UHFFFAOYSA-N
MW331.27 g/mol
LogP3.66
Rot. Bonds5

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

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide (PubChem CID 19532090) has the molecular formula C14H13F4N3O2 and a molecular weight of 331.27 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
PubChem CID19532090
Molecular FormulaC14H13F4N3O2
Molecular Weight331.27 g/mol
Exact Mass331.09
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1O)n1nc(C(F)F)cc1C(F)F
InChIInChI=1S/C14H13F4N3O2/c1-7(14(23)19-8-4-2-3-5-11(8)22)21-10(13(17)18)6-9(20-21)12(15)16/h2-7,12-13,22H,1H3,(H,19,23)
InChIKeyZZPQGJIIOPONOZ-UHFFFAOYSA-N
XLogP3.66
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 19532382
N-[2-(difluoromethoxy)phenyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539446
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532242
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-prop-2-enylpropanamide
CID 19532115
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-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532306
N-(4-acetamidophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539324
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(2,5-dimethylphenyl)propanamide
CID 19539415
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19532217

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide (CID 19532090) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide is CC(C(=O)Nc1ccccc1O)n1nc(C(F)F)cc1C(F)F.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide?
The InChIKey is ZZPQGJIIOPONOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3O2/c1-7(14(23)19-8-4-2-3-5-11(8)22)21-10(13(17)18)6-9(20-21)12(15)16/h2-7,12-13,22H,1H3,(H,19,23).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide has a molecular weight of 331.27 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 19532090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).