N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide

C18H26F5N3O2 — CID 169169347

IUPACN-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCc1c(C2CC(F)(F)C2)nn(CC(C)(C)O)c1NC(=O)CC(C)(C)C(F)(F)F
InChIInChI=1S/C18H26F5N3O2/c1-10-13(11-6-17(19,20)7-11)25-26(9-16(4,5)28)14(10)24-12(27)8-15(2,3)18(21,22)23/h11,28H,6-9H2,1-5H3,(H,24,27)
InChIKeyDGESYGCOKQLNEZ-UHFFFAOYSA-N
MW411.42 g/mol
LogP4.39
Rot. Bonds6

About N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide

N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide (PubChem CID 169169347) has the molecular formula C18H26F5N3O2 and a molecular weight of 411.42 g/mol. Its IUPAC name is N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
PubChem CID169169347
Molecular FormulaC18H26F5N3O2
Molecular Weight411.42 g/mol
Exact Mass411.19
IUPAC NameN-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide
SMILESCc1c(C2CC(F)(F)C2)nn(CC(C)(C)O)c1NC(=O)CC(C)(C)C(F)(F)F
InChIInChI=1S/C18H26F5N3O2/c1-10-13(11-6-17(19,20)7-11)25-26(9-16(4,5)28)14(10)24-12(27)8-15(2,3)18(21,22)23/h11,28H,6-9H2,1-5H3,(H,24,27)
InChIKeyDGESYGCOKQLNEZ-UHFFFAOYSA-N
XLogP4.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 87795784
CID 87795784
CID 169169255
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CID 169169265
CID 169169265
CID 169169267
CID 169169267
CID 169169271
CID 169169271
CID 169169275
CID 169169275
CID 169169281
CID 169169281
CID 169169288
CID 169169288
CID 169169289
CID 169169289
CID 169169291
CID 169169291
CID 169169294
CID 169169294
CID 169169295
CID 169169295

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The IUPAC name of N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide (CID 169169347) is N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide.
What is the SMILES notation for N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The canonical SMILES for N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide is Cc1c(C2CC(F)(F)C2)nn(CC(C)(C)O)c1NC(=O)CC(C)(C)C(F)(F)F.
What is the InChIKey of N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
The InChIKey is DGESYGCOKQLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F5N3O2/c1-10-13(11-6-17(19,20)7-11)25-26(9-16(4,5)28)14(10)24-12(27)8-15(2,3)18(21,22)23/h11,28H,6-9H2,1-5H3,(H,24,27).
What are the key properties of N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide?
N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide has a molecular weight of 411.42 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3-difluorocyclobutyl)-2-(2-hydroxy-2-methylpropyl)-4-methylpyrazol-3-yl]-4,4,4-trifluoro-3,3-dimethylbutanamide is sourced from PubChem (CID 169169347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).