4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide

C11H9F3N4O — CID 156648583

IUPAC4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide
SMILESNC(=O)n1cc(Cc2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-3-1-2-8(17-9)4-7-5-16-18(6-7)10(15)19/h1-3,5-6H,4H2,(H2,15,19)
InChIKeyNENJMLGBVXUCNV-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.81
Rot. Bonds2

About 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide

4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide (PubChem CID 156648583) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide.

Molecular Properties

Compound Name4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide
PubChem CID156648583
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide
SMILESNC(=O)n1cc(Cc2cccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)9-3-1-2-8(17-9)4-7-5-16-18(6-7)10(15)19/h1-3,5-6H,4H2,(H2,15,19)
InChIKeyNENJMLGBVXUCNV-UHFFFAOYSA-N
XLogP1.81
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide?
The IUPAC name of 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide (CID 156648583) is 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide.
What is the SMILES notation for 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide?
The canonical SMILES for 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide is NC(=O)n1cc(Cc2cccc(C(F)(F)F)n2)cn1.
What is the InChIKey of 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide?
The InChIKey is NENJMLGBVXUCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)9-3-1-2-8(17-9)4-7-5-16-18(6-7)10(15)19/h1-3,5-6H,4H2,(H2,15,19).
What are the key properties of 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide?
4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide has a molecular weight of 270.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(trifluoromethyl)-2-pyridinyl]methyl]pyrazole-1-carboxamide is sourced from PubChem (CID 156648583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).