N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C18H23F2N3O2 — CID 48691276

IUPACN-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C18H23F2N3O2/c1-10-13(11(2)23(22-10)17(19)20)9-16(25)21-14-8-12(18(3,4)5)6-7-15(14)24/h6-8,17,24H,9H2,1-5H3,(H,21,25)
InChIKeyDJPDTWOZCXKDOG-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.08
Rot. Bonds4

About N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 48691276) has the molecular formula C18H23F2N3O2 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID48691276
Molecular FormulaC18H23F2N3O2
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC NameN-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(C(C)(C)C)ccc1O
InChIInChI=1S/C18H23F2N3O2/c1-10-13(11(2)23(22-10)17(19)20)9-16(25)21-14-8-12(18(3,4)5)6-7-15(14)24/h6-8,17,24H,9H2,1-5H3,(H,21,25)
InChIKeyDJPDTWOZCXKDOG-UHFFFAOYSA-N
XLogP4.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.08
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

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 86847878
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(thiadiazol-5-yl)acetamide
CID 99833208
N-(1-amino-2,3-dimethylbutan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide;hydrochloride
CID 119608489
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2,4,5-trimethylpyrazol-3-yl)acetamide
CID 146086741
N-(5-tert-butyl-2-hydroxyphenyl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
CID 27673080
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 56581409
(2S)-2-[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2-methylpentanoic acid
CID 97324057
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481168
N-(5-tert-butyl-2-hydroxyphenyl)pentanamide
CID 29265334
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-morpholin-4-ylphenyl)acetamide
CID 48679820
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 119575428

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 48691276) is N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cc(C(C)(C)C)ccc1O.
What is the InChIKey of N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is DJPDTWOZCXKDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O2/c1-10-13(11(2)23(22-10)17(19)20)9-16(25)21-14-8-12(18(3,4)5)6-7-15(14)24/h6-8,17,24H,9H2,1-5H3,(H,21,25).
What are the key properties of N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 351.40 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-hydroxyphenyl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 48691276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).