5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide

C16H19F2N3O3 — CID 167850440

IUPAC5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1cc(OC(F)F)n(C)n1
InChIInChI=1S/C16H19F2N3O3/c1-9-5-6-13(23-4)11(7-9)10(2)19-15(22)12-8-14(21(3)20-12)24-16(17)18/h5-8,10,16H,1-4H3,(H,19,22)/t10-/m0/s1
InChIKeyUBXRXWCBZWLISH-JTQLQIEISA-N
MW339.34 g/mol
LogP2.83
Rot. Bonds6

About 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide

5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 167850440) has the molecular formula C16H19F2N3O3 and a molecular weight of 339.34 g/mol. Its IUPAC name is 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID167850440
Molecular FormulaC16H19F2N3O3
Molecular Weight339.34 g/mol
Exact Mass339.14
IUPAC Name5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1cc(OC(F)F)n(C)n1
InChIInChI=1S/C16H19F2N3O3/c1-9-5-6-13(23-4)11(7-9)10(2)19-15(22)12-8-14(21(3)20-12)24-16(17)18/h5-8,10,16H,1-4H3,(H,19,22)/t10-/m0/s1
InChIKeyUBXRXWCBZWLISH-JTQLQIEISA-N
XLogP2.83
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 51212377
5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-2-(methylamino)propanamide
CID 55121780
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 9048385
2,2,2-trifluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 62490240
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134048712
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51295317
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 78813142

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide (CID 167850440) is 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide is COc1ccc(C)cc1[C@H](C)NC(=O)c1cc(OC(F)F)n(C)n1.
What is the InChIKey of 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is UBXRXWCBZWLISH-JTQLQIEISA-N. The full InChI is InChI=1S/C16H19F2N3O3/c1-9-5-6-13(23-4)11(7-9)10(2)19-15(22)12-8-14(21(3)20-12)24-16(17)18/h5-8,10,16H,1-4H3,(H,19,22)/t10-/m0/s1.
What are the key properties of 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide?
5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 339.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 167850440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).