N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide

C16H22F5N3O — CID 169169401

IUPACN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide
SMILESCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CCC(F)(F)F
InChIInChI=1S/C16H22F5N3O/c1-9-12(10-7-15(17,18)8-10)23-24(14(2,3)4)13(9)22-11(25)5-6-16(19,20)21/h10H,5-8H2,1-4H3,(H,22,25)
InChIKeyNFSKVQWGLOMFSZ-UHFFFAOYSA-N
MW367.36 g/mol
LogP4.74
Rot. Bonds4

About N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide

N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide (PubChem CID 169169401) has the molecular formula C16H22F5N3O and a molecular weight of 367.36 g/mol. Its IUPAC name is N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide
PubChem CID169169401
Molecular FormulaC16H22F5N3O
Molecular Weight367.36 g/mol
Exact Mass367.17
IUPAC NameN-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide
SMILESCc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CCC(F)(F)F
InChIInChI=1S/C16H22F5N3O/c1-9-12(10-7-15(17,18)8-10)23-24(14(2,3)4)13(9)22-11(25)5-6-16(19,20)21/h10H,5-8H2,1-4H3,(H,22,25)
InChIKeyNFSKVQWGLOMFSZ-UHFFFAOYSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 54.74
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
1-tert-Butyl-3-cyclobutyl-4-trifluoromethyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 136338638
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]-4,4,4-trifluorobutanamide?
The IUPAC name of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide (CID 169169401) is N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide?
The canonical SMILES for N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide is Cc1c(C2CC(F)(F)C2)nn(C(C)(C)C)c1NC(=O)CCC(F)(F)F.
What is the InChIKey of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide?
The InChIKey is NFSKVQWGLOMFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F5N3O/c1-9-12(10-7-15(17,18)8-10)23-24(14(2,3)4)13(9)22-11(25)5-6-16(19,20)21/h10H,5-8H2,1-4H3,(H,22,25).
What are the key properties of N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide?
N-[2-tert-butyl-5-(3,3-difluorocyclobutyl)-4-methylpyrazol-3-yl]-4,4,4-trifluorobutanamide has a molecular weight of 367.36 g/mol, XLogP of 4.74, 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]-4,4,4-trifluorobutanamide is sourced from PubChem (CID 169169401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).