1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

C12H11F3N4O — CID 1474578

IUPAC1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c1-7-3-4-16-9(5-7)17-11(20)8-6-19(2)18-10(8)12(13,14)15/h3-6H,1-2H3,(H,16,17,20)
InChIKeyDAECAKRCDJXXEV-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 1474578) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID1474578
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1ccnc(NC(=O)c2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O/c1-7-3-4-16-9(5-7)17-11(20)8-6-19(2)18-10(8)12(13,14)15/h3-6H,1-2H3,(H,16,17,20)
InChIKeyDAECAKRCDJXXEV-UHFFFAOYSA-N
XLogP2.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 1474578) is 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is Cc1ccnc(NC(=O)c2cn(C)nc2C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DAECAKRCDJXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-7-3-4-16-9(5-7)17-11(20)8-6-19(2)18-10(8)12(13,14)15/h3-6H,1-2H3,(H,16,17,20).
What are the key properties of 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 1474578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).