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

C13H10ClF4N3O2 — CID 19518008

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H10ClF4N3O2/c14-6-1-2-10(22)7(3-6)19-11(23)5-21-9(13(17)18)4-8(20-21)12(15)16/h1-4,12-13,22H,5H2,(H,19,23)
InChIKeyHJRBXRQSMOBHSS-UHFFFAOYSA-N
MW351.69 g/mol
LogP3.76
Rot. Bonds5

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

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide (PubChem CID 19518008) has the molecular formula C13H10ClF4N3O2 and a molecular weight of 351.69 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
PubChem CID19518008
Molecular FormulaC13H10ClF4N3O2
Molecular Weight351.69 g/mol
Exact Mass351.04
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cc(Cl)ccc1O
InChIInChI=1S/C13H10ClF4N3O2/c14-6-1-2-10(22)7(3-6)19-11(23)5-21-9(13(17)18)4-8(20-21)12(15)16/h1-4,12-13,22H,5H2,(H,19,23)
InChIKeyHJRBXRQSMOBHSS-UHFFFAOYSA-N
XLogP3.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.69
LogP ≤ 53.76
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-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517990
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5430332
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19518175
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19517987
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19518157
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 19525429
N-(5-chloro-2-hydroxyphenyl)-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527312
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-chloro-2-methylphenyl)acetamide
CID 19517380
N-(2,6-dichlorophenyl)-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516489
N-(5-chloro-2-hydroxyphenyl)-2-(4-chlorophenyl)acetamide
CID 1262869
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(4-nitropyrazol-1-yl)acetamide
CID 4773185
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]acetamide
CID 19516484

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide (CID 19518008) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide is O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1cc(Cl)ccc1O.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
The InChIKey is HJRBXRQSMOBHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF4N3O2/c14-6-1-2-10(22)7(3-6)19-11(23)5-21-9(13(17)18)4-8(20-21)12(15)16/h1-4,12-13,22H,5H2,(H,19,23).
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide has a molecular weight of 351.69 g/mol, XLogP of 3.76, 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-(5-chloro-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 19518008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).