6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

C14H15F3N4O2 — CID 154782846

IUPAC6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCC(C)n1ccc(CNC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C14H15F3N4O2/c1-8(2)21-6-5-9(20-21)7-18-13(23)11-4-3-10(12(22)19-11)14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyCVMMHUQMUDKSSF-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.10
Rot. Bonds4

About 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (PubChem CID 154782846) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
PubChem CID154782846
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCC(C)n1ccc(CNC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)n1
InChIInChI=1S/C14H15F3N4O2/c1-8(2)21-6-5-9(20-21)7-18-13(23)11-4-3-10(12(22)19-11)14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyCVMMHUQMUDKSSF-UHFFFAOYSA-N
XLogP2.10
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (CID 154782846) is 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is CC(C)n1ccc(CNC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)n1.
What is the InChIKey of 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The InChIKey is CVMMHUQMUDKSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-8(2)21-6-5-9(20-21)7-18-13(23)11-4-3-10(12(22)19-11)14(15,16)17/h3-6,8H,7H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 154782846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).