N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H11F3N4O2 — CID 61004755

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

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 61004755) 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]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID61004755
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1[nH]ncc1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H11F3N4O2/c1-6-7(5-17-19-6)4-16-10(20)8-2-3-9(12(13,14)15)18-11(8)21/h2-3,5H,4H2,1H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyGHXIRJSFOGPWJB-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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Related Compounds

N-[(5-Methyl-1H-pyrazol-4-YL)methyl]-1-(6-oxo-1,6-dihydropyridazin-4-YL)pyrrolidine-3-carboxamide
CID 91920234
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 126787976
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxamide
CID 138034045
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
5-(difluoromethyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 68918114
N-ethyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 142786101
5-(difluoromethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 142786102
N-prop-2-enyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 47801448
N-propyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 47801873
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 54896806
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227640

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 61004755) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1[nH]ncc1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is GHXIRJSFOGPWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c1-6-7(5-17-19-6)4-16-10(20)8-2-3-9(12(13,14)15)18-11(8)21/h2-3,5H,4H2,1H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-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]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61004755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).