N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C19H19F3N6O — CID 56570632

IUPACN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1
InChIInChI=1S/C19H19F3N6O/c1-11-12(6-7-13(25-11)19(20,21)22)16(29)26-15-10-14(18(2,3)4)27-28(15)17-23-8-5-9-24-17/h5-10H,1-4H3,(H,26,29)
InChIKeyQGQQQULGTKNEFI-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.93
Rot. Bonds3

About N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 56570632) has the molecular formula C19H19F3N6O and a molecular weight of 404.40 g/mol. Its IUPAC name is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID56570632
Molecular FormulaC19H19F3N6O
Molecular Weight404.40 g/mol
Exact Mass404.16
IUPAC NameN-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1
InChIInChI=1S/C19H19F3N6O/c1-11-12(6-7-13(25-11)19(20,21)22)16(29)26-15-10-14(18(2,3)4)27-28(15)17-23-8-5-9-24-17/h5-10H,1-4H3,(H,26,29)
InChIKeyQGQQQULGTKNEFI-UHFFFAOYSA-N
XLogP3.93
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 56573638
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-methylthiophene-2-carboxamide
CID 154747614
(Z)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4,4,4-trifluoro-3-phenylbut-2-enamide
CID 56570299
N-(2-tert-butylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31890720
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(dimethylsulfamoyl)benzamide
CID 56573549
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 56534371
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 56534380
2-methyl-2-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119187886
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 56573611
N-(3-tert-butyl-1-pyridin-2-ylpyrazol-5-yl)-2,4-dichlorobenzamide
CID 56531728
(1S,5S)-N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 98216077

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 56570632) is N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1.
What is the InChIKey of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QGQQQULGTKNEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O/c1-11-12(6-7-13(25-11)19(20,21)22)16(29)26-15-10-14(18(2,3)4)27-28(15)17-23-8-5-9-24-17/h5-10H,1-4H3,(H,26,29).
What are the key properties of N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 404.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 56570632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).