N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

C12H11F3N4O2 — CID 138034045

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H11F3N4O2/c1-6-7(5-17-19-6)4-16-11(21)9-3-2-8(10(20)18-9)12(13,14)15/h2-3,5H,4H2,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyIITYXFOHVKKCRS-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.36
Rot. Bonds3

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (PubChem CID 138034045) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
PubChem CID138034045
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C12H11F3N4O2/c1-6-7(5-17-19-6)4-16-11(21)9-3-2-8(10(20)18-9)12(13,14)15/h2-3,5H,4H2,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyIITYXFOHVKKCRS-UHFFFAOYSA-N
XLogP1.36
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide (CID 138034045) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is Cc1[nH]ncc1CNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
The InChIKey is IITYXFOHVKKCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-6-7(5-17-19-6)4-16-11(21)9-3-2-8(10(20)18-9)12(13,14)15/h2-3,5H,4H2,1H3,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 138034045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).