N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

C12H18F3N3O2 — CID 167970299

IUPACN-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCCC(C)n1ncc(NC(=O)C(C)(O)C(F)(F)F)c1C
InChIInChI=1S/C12H18F3N3O2/c1-5-7(2)18-8(3)9(6-16-18)17-10(19)11(4,20)12(13,14)15/h6-7,20H,5H2,1-4H3,(H,17,19)
InChIKeyABGGDZLUYLATNR-UHFFFAOYSA-N
MW293.29 g/mol
LogP2.41
Rot. Bonds4

About N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide

N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (PubChem CID 167970299) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
PubChem CID167970299
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC NameN-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
SMILESCCC(C)n1ncc(NC(=O)C(C)(O)C(F)(F)F)c1C
InChIInChI=1S/C12H18F3N3O2/c1-5-7(2)18-8(3)9(6-16-18)17-10(19)11(4,20)12(13,14)15/h6-7,20H,5H2,1-4H3,(H,17,19)
InChIKeyABGGDZLUYLATNR-UHFFFAOYSA-N
XLogP2.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(2,2-difluoroethyl)urea
CID 129358097
1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(1H-pyrazol-5-yl)urea
CID 129359337
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 146090777
1-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-3-(3-chloro-4-hydroxyphenyl)urea
CID 129358603
1-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-3-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 129358798
(2R)-N-[1-[(2R)-butan-2-yl]-5-methylpyrazol-4-yl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 129358763
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-2-methyl-3-phenylpyrrolidine-1-carboxamide
CID 132971582
N-(1-butan-2-yl-5-cyclopropylpyrazol-4-yl)-2-(3-hydroxyphenyl)-2-methylpropanamide
CID 136556733
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-6-fluoropyridine-3-sulfonamide
CID 127267171
N-(4-bromo-2-methylphenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287259
4-bromo-1-[(2S)-butan-2-yl]pyrazole-5-carboxylic acid
CID 28842011
1-[(2S)-butan-2-yl]-N-(4-fluorophenyl)sulfonyl-5-methylpyrazole-4-carboxamide
CID 99859445

Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide (CID 167970299) is N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is CCC(C)n1ncc(NC(=O)C(C)(O)C(F)(F)F)c1C.
What is the InChIKey of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
The InChIKey is ABGGDZLUYLATNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-5-7(2)18-8(3)9(6-16-18)17-10(19)11(4,20)12(13,14)15/h6-7,20H,5H2,1-4H3,(H,17,19).
What are the key properties of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide?
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide has a molecular weight of 293.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 167970299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).