1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C12H11F3N4O — CID 699297

IUPAC1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C12H11F3N4O/c1-19-9(5-10(18-19)12(13,14)15)11(20)17-7-8-3-2-4-16-6-8/h2-6H,7H2,1H3,(H,17,20)
InChIKeySOKBGZFYARMQLT-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.76
Rot. Bonds3

About 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 699297) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID699297
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NCc1cccnc1
InChIInChI=1S/C12H11F3N4O/c1-19-9(5-10(18-19)12(13,14)15)11(20)17-7-8-3-2-4-16-6-8/h2-6H,7H2,1H3,(H,17,20)
InChIKeySOKBGZFYARMQLT-UHFFFAOYSA-N
XLogP1.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 699297) is 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NCc1cccnc1.
What is the InChIKey of 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is SOKBGZFYARMQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-19-9(5-10(18-19)12(13,14)15)11(20)17-7-8-3-2-4-16-6-8/h2-6H,7H2,1H3,(H,17,20).
What are the key properties of 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 699297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).