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

C21H20FN7O — CID 60525924

IUPACN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccnc(-n3cncn3)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20FN7O/c1-21(2,3)17-11-19(29(27-17)16-6-4-15(22)5-7-16)26-20(30)14-8-9-24-18(10-14)28-13-23-12-25-28/h4-13H,1-3H3,(H,26,30)
InChIKeyQMQFFGVQSUICIM-UHFFFAOYSA-N
MW405.44 g/mol
LogP3.54
Rot. Bonds4

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

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 60525924) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID60525924
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC NameN-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccnc(-n3cncn3)c2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20FN7O/c1-21(2,3)17-11-19(29(27-17)16-6-4-15(22)5-7-16)26-20(30)14-8-9-24-18(10-14)28-13-23-12-25-28/h4-13H,1-3H3,(H,26,30)
InChIKeyQMQFFGVQSUICIM-UHFFFAOYSA-N
XLogP3.54
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072206
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-4-methyl-3-methylsulfonylbenzamide
CID 47047157
N-(4-chloro-2,6-difluorophenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 154751807
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]naphthalene-1-carboxamide
CID 142696740
2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 47071207
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525782
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526072
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-[3-tert-butyl-1-(4-nitrophenyl)pyrazol-5-yl]-4-nitrobenzamide
CID 42730471

Frequently Asked Questions

What is the IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 60525924) is N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is CC(C)(C)c1cc(NC(=O)c2ccnc(-n3cncn3)c2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is QMQFFGVQSUICIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-21(2,3)17-11-19(29(27-17)16-6-4-15(22)5-7-16)26-20(30)14-8-9-24-18(10-14)28-13-23-12-25-28/h4-13H,1-3H3,(H,26,30).
What are the key properties of N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 405.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60525924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).