(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide

C11H16F3N3O2 — CID 95399063

IUPAC(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCN(CCCc1cnn(C)c1)C(=O)[C@H](O)C(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-16(10(19)9(18)11(12,13)14)5-3-4-8-6-15-17(2)7-8/h6-7,9,18H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyTWSXKVIHWSSPIA-VIFPVBQESA-N
MW279.26 g/mol
LogP0.73
Rot. Bonds5

About (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide

(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide (PubChem CID 95399063) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
PubChem CID95399063
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
SMILESCN(CCCc1cnn(C)c1)C(=O)[C@H](O)C(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-16(10(19)9(18)11(12,13)14)5-3-4-8-6-15-17(2)7-8/h6-7,9,18H,3-5H2,1-2H3/t9-/m0/s1
InChIKeyTWSXKVIHWSSPIA-VIFPVBQESA-N
XLogP0.73
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
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2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
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N-methyl-3-(1-methylpiperidin-3-yl)-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
The IUPAC name of (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide (CID 95399063) is (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide is CN(CCCc1cnn(C)c1)C(=O)[C@H](O)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
The InChIKey is TWSXKVIHWSSPIA-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-16(10(19)9(18)11(12,13)14)5-3-4-8-6-15-17(2)7-8/h6-7,9,18H,3-5H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide?
(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide has a molecular weight of 279.26 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide is sourced from PubChem (CID 95399063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).