N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide

C18H24FN3O — CID 42732985

IUPACN-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(F)c1
InChIInChI=1S/C18H24FN3O/c1-17(2,3)14-11-15(20-16(23)18(4,5)6)22(21-14)13-9-7-8-12(19)10-13/h7-11H,1-6H3,(H,20,23)
InChIKeyUYBKKTFSPZAZJH-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.29
Rot. Bonds2

About N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide

N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide (PubChem CID 42732985) has the molecular formula C18H24FN3O and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
PubChem CID42732985
Molecular FormulaC18H24FN3O
Molecular Weight317.41 g/mol
Exact Mass317.19
IUPAC NameN-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(F)c1
InChIInChI=1S/C18H24FN3O/c1-17(2,3)14-11-15(20-16(23)18(4,5)6)22(21-14)13-9-7-8-12(19)10-13/h7-11H,1-6H3,(H,20,23)
InChIKeyUYBKKTFSPZAZJH-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide
CID 46087955
N-[3-tert-butyl-1-(2,3-dimethylphenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 42731375
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-chloro-2,2-dimethylpropanamide
CID 42730449
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 4855757
1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 69295281
N-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-2-(methylamino)acetamide
CID 119733627
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 142696740
1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-[2-fluoro-5-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 69295910
1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(2-hydroxyethyl)urea
CID 48741757
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide
CID 154806807
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(3,5-difluorophenyl)urea
CID 162645586
N-[2-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-fluoro-N-pentylbenzamide
CID 42735418

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide (CID 42732985) is N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(F)c1.
What is the InChIKey of N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
The InChIKey is UYBKKTFSPZAZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O/c1-17(2,3)14-11-15(20-16(23)18(4,5)6)22(21-14)13-9-7-8-12(19)10-13/h7-11H,1-6H3,(H,20,23).
What are the key properties of N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide?
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide has a molecular weight of 317.41 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 42732985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).