N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H11F3N4O2 — CID 115633394

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1C
InChIInChI=1S/C12H11F3N4O2/c1-5-6(2)18-19-9(5)17-11(21)7-3-4-8(12(13,14)15)16-10(7)20/h3-4H,1-2H3,(H,16,20)(H2,17,18,19,21)
InChIKeyMXCPEROVXDCMOP-UHFFFAOYSA-N
MW300.24 g/mol
LogP1.99
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 115633394) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID115633394
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1C
InChIInChI=1S/C12H11F3N4O2/c1-5-6(2)18-19-9(5)17-11(21)7-3-4-8(12(13,14)15)16-10(7)20/h3-4H,1-2H3,(H,16,20)(H2,17,18,19,21)
InChIKeyMXCPEROVXDCMOP-UHFFFAOYSA-N
XLogP1.99
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 115633394) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1[nH]nc(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MXCPEROVXDCMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-5-6(2)18-19-9(5)17-11(21)7-3-4-8(12(13,14)15)16-10(7)20/h3-4H,1-2H3,(H,16,20)(H2,17,18,19,21).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 115633394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).