3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide

C16H20FN3O — CID 154513228

IUPAC3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCCc1cc(C)c(C)cc1Cc1nn(C)c(F)c1C(N)=O
InChIInChI=1S/C16H20FN3O/c1-5-11-6-9(2)10(3)7-12(11)8-13-14(16(18)21)15(17)20(4)19-13/h6-7H,5,8H2,1-4H3,(H2,18,21)
InChIKeyFTLXKDQHDDUCSJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.43
Rot. Bonds4

About 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide

3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide (PubChem CID 154513228) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide
PubChem CID154513228
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCCc1cc(C)c(C)cc1Cc1nn(C)c(F)c1C(N)=O
InChIInChI=1S/C16H20FN3O/c1-5-11-6-9(2)10(3)7-12(11)8-13-14(16(18)21)15(17)20(4)19-13/h6-7H,5,8H2,1-4H3,(H2,18,21)
InChIKeyFTLXKDQHDDUCSJ-UHFFFAOYSA-N
XLogP2.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-ethyl-1-methylpyrazole-4-carboxamide
CID 130628105
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
ethyl 3-(difluoromethyl)-5-fluoro-1-methylpyrazole-4-carboxylate
CID 56926832
3-ethyl-1-methylindazole-5-carboxamide
CID 171772893
(4-fluoro-2-methylphenyl)methyl 4-amino-3-ethyl-1-methylpyrazole-5-carboxylate
CID 114348591
2,5-dimethylpyrazole-3-carboxamide;hydrochloride
CID 68886245
4-bromo-2,6-diethylbenzamide
CID 68757322
3-ethyl-1-methylpyrazole-5-carboxylic acid
CID 820565
2,3-diethyl-6-methylbenzamide
CID 174760493
4-amino-3-ethyl-1-methyl-N-(3,4,5-trifluorophenyl)pyrazole-5-carboxamide
CID 66117392
2-(5-fluoro-2-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 105376837
3-[(3,5-difluorophenyl)methylamino]-1-methylpyrazole-5-carboxamide
CID 122168302

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide (CID 154513228) is 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide is CCc1cc(C)c(C)cc1Cc1nn(C)c(F)c1C(N)=O.
What is the InChIKey of 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide?
The InChIKey is FTLXKDQHDDUCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-5-11-6-9(2)10(3)7-12(11)8-13-14(16(18)21)15(17)20(4)19-13/h6-7H,5,8H2,1-4H3,(H2,18,21).
What are the key properties of 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide?
3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-4,5-dimethylphenyl)methyl]-5-fluoro-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 154513228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).