N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

C18H24F5N3O — CID 169169607

IUPACN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C18H24F5N3O/c1-10-13(11-7-17(19,20)8-11)25-26(15(2,3)4)14(10)24-12(27)9-16(5-6-16)18(21,22)23/h11H,5-9H2,1-4H3,(H,24,27)
InChIKeyZDAQRTYGKNXWIX-UHFFFAOYSA-N
MW393.40 g/mol
LogP5.13
Rot. Bonds4

About N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide

N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (PubChem CID 169169607) has the molecular formula C18H24F5N3O and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
PubChem CID169169607
Molecular FormulaC18H24F5N3O
Molecular Weight393.40 g/mol
Exact Mass393.18
IUPAC NameN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide
SMILESCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CC1(C(F)(F)F)CC1
InChIInChI=1S/C18H24F5N3O/c1-10-13(11-7-17(19,20)8-11)25-26(15(2,3)4)14(10)24-12(27)9-16(5-6-16)18(21,22)23/h11H,5-9H2,1-4H3,(H,24,27)
InChIKeyZDAQRTYGKNXWIX-UHFFFAOYSA-N
XLogP5.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-tert-Butyl-5-(3-oxo-cyclobutyl)-2H-pyrazol-3-yl]-2,2,2-trifluoro-acetamide
CID 57525638
N-[3-tert-butyl-1-(cyclopropylmethyl)-4-methylpyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 87795784
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-3-(trifluoromethyl)octanamide
CID 169169255
(1R)-N-[1-cyclobutyl-3-(3-fluoro-1,3-dimethylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169265
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169267
3-cyclobutyl-N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-3-methylbutanamide
CID 169169271
N-[1-butan-2-yl-3-(3,3-difluoro-1-methylcyclohexyl)-4-methylpyrazol-5-yl]-2-(1-methylcyclopropyl)acetamide;ethane
CID 169169275
N-[4-cyclobutyl-3-[(3,3-difluorocyclobutyl)methyl]-1-methylpyrazol-5-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 169169281
N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-3,3-difluorocyclobutane-1-carboxamide
CID 169169288
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-ethylpyrazol-3-yl]-3-hydroxybutanamide;ethane
CID 169169289
(1S)-N-[1-cyclobutyl-3-(3,3-difluoro-1-methylcyclobutyl)-4-methylpyrazol-5-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 169169291
N-(4-cyclobutyl-5-cyclohexyl-2-methylpyrazol-3-yl)-2-(3,3-difluorocyclobutyl)acetamide
CID 169169294

Frequently Asked Questions

What is the IUPAC name of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The IUPAC name of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide (CID 169169607) is N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide.
What is the SMILES notation for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The canonical SMILES for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is Cc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CC1(C(F)(F)F)CC1.
What is the InChIKey of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
The InChIKey is ZDAQRTYGKNXWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F5N3O/c1-10-13(11-7-17(19,20)8-11)25-26(15(2,3)4)14(10)24-12(27)9-16(5-6-16)18(21,22)23/h11H,5-9H2,1-4H3,(H,24,27).
What are the key properties of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide?
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide has a molecular weight of 393.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-2-[1-(trifluoromethyl)cyclopropyl]acetamide is sourced from PubChem (CID 169169607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).