N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide

C20H18F3N3O — CID 46087955

IUPACN-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(F)cc2F)n(-c2cccc(F)c2)n1
InChIInChI=1S/C20H18F3N3O/c1-20(2,3)17-11-18(26(25-17)14-6-4-5-12(21)9-14)24-19(27)15-8-7-13(22)10-16(15)23/h4-11H,1-3H3,(H,24,27)
InChIKeySIKYYXZGEJXQSI-UHFFFAOYSA-N
MW373.38 g/mol
LogP4.84
Rot. Bonds3

About N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide

N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide (PubChem CID 46087955) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide
PubChem CID46087955
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(F)cc2F)n(-c2cccc(F)c2)n1
InChIInChI=1S/C20H18F3N3O/c1-20(2,3)17-11-18(26(25-17)14-6-4-5-12(21)9-14)24-19(27)15-8-7-13(22)10-16(15)23/h4-11H,1-3H3,(H,24,27)
InChIKeySIKYYXZGEJXQSI-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 42732985
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 142696740
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2,3-dichlorobenzamide
CID 46088066
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide
CID 154806807
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46107138
2-bromo-N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-5-fluorobenzamide
CID 56550955
[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] 3-fluorobenzoate
CID 4855757
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46436643
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
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072206
1-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 69295281

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide (CID 46087955) is N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide is CC(C)(C)c1cc(NC(=O)c2ccc(F)cc2F)n(-c2cccc(F)c2)n1.
What is the InChIKey of N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide?
The InChIKey is SIKYYXZGEJXQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-20(2,3)17-11-18(26(25-17)14-6-4-5-12(21)9-14)24-19(27)15-8-7-13(22)10-16(15)23/h4-11H,1-3H3,(H,24,27).
What are the key properties of N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide?
N-[3-tert-butyl-1-(3-fluorophenyl)pyrazol-5-yl]-2,4-difluorobenzamide has a molecular weight of 373.38 g/mol, XLogP of 4.84, 3 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]-2,4-difluorobenzamide is sourced from PubChem (CID 46087955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).