N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C20H18F4N4O — CID 43072206

IUPACN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18F4N4O/c1-19(2,3)16-10-17(28(27-16)14-7-5-13(21)6-8-14)26-18(29)12-4-9-15(25-11-12)20(22,23)24/h4-11H,1-3H3,(H,26,29)
InChIKeyWJIYLTWROYLMQK-UHFFFAOYSA-N
MW406.38 g/mol
LogP4.97
Rot. Bonds3

About N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 43072206) has the molecular formula C20H18F4N4O and a molecular weight of 406.38 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID43072206
Molecular FormulaC20H18F4N4O
Molecular Weight406.38 g/mol
Exact Mass406.14
IUPAC NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H18F4N4O/c1-19(2,3)16-10-17(28(27-16)14-7-5-13(21)6-8-14)26-18(29)12-4-9-15(25-11-12)20(22,23)24/h4-11H,1-3H3,(H,26,29)
InChIKeyWJIYLTWROYLMQK-UHFFFAOYSA-N
XLogP4.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-methyl-3-methylsulfonylbenzamide
CID 47047157
N-[3-(2-methoxyphenyl)-1-(4-methylphenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112833487
N-[3-tert-butyl-1-(4-nitrophenyl)pyrazol-5-yl]-4-nitrobenzamide
CID 42730471
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525924
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 142696740
N-[2-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-ethyl-4-(trifluoromethyl)benzamide
CID 42733451
N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-ethylbenzamide
CID 42732616
3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine
CID 137395749
3-bromo-N-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-4-methylbenzamide
CID 11750662
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-5-methoxypentanamide
CID 86871838
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46436643
N-(2,4-difluorophenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33164256

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 43072206) is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)nc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WJIYLTWROYLMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O/c1-19(2,3)16-10-17(28(27-16)14-7-5-13(21)6-8-14)26-18(29)12-4-9-15(25-11-12)20(22,23)24/h4-11H,1-3H3,(H,26,29).
What are the key properties of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 406.38 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 43072206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).