5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide

C14H20F3N3O2 — CID 138035362

IUPAC5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(C2CC2)n(C)n1)[C@H](O)C(F)(F)F
InChIInChI=1S/C14H20F3N3O2/c1-7(2)11(12(21)14(15,16)17)18-13(22)9-6-10(8-4-5-8)20(3)19-9/h6-8,11-12,21H,4-5H2,1-3H3,(H,18,22)/t11-,12-/m0/s1
InChIKeyGDVVBLPZLKDSDD-RYUDHWBXSA-N
MW319.33 g/mol
LogP1.98
Rot. Bonds5

About 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide

5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide (PubChem CID 138035362) has the molecular formula C14H20F3N3O2 and a molecular weight of 319.33 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide
PubChem CID138035362
Molecular FormulaC14H20F3N3O2
Molecular Weight319.33 g/mol
Exact Mass319.15
IUPAC Name5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(C2CC2)n(C)n1)[C@H](O)C(F)(F)F
InChIInChI=1S/C14H20F3N3O2/c1-7(2)11(12(21)14(15,16)17)18-13(22)9-6-10(8-4-5-8)20(3)19-9/h6-8,11-12,21H,4-5H2,1-3H3,(H,18,22)/t11-,12-/m0/s1
InChIKeyGDVVBLPZLKDSDD-RYUDHWBXSA-N
XLogP1.98
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-1-(5-fluoropentyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162643461
5-tert-butyl-1-(4-fluorobutyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162664184
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 162664964
5-(2,2-dimethylpropyl)-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
CID 162665317
1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162668450
5-tert-butyl-1-(3-fluoropropyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162669636
5-tert-butyl-1-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162670735
3-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-5-carboxamide
CID 162671856
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide
CID 162672197
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
CID 162673453
5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-propylpyrazole-3-carboxamide
CID 162676388
5-tert-butyl-1-(cyclopropylmethyl)-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162676655

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide (CID 138035362) is 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide is CC(C)[C@H](NC(=O)c1cc(C2CC2)n(C)n1)[C@H](O)C(F)(F)F.
What is the InChIKey of 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide?
The InChIKey is GDVVBLPZLKDSDD-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H20F3N3O2/c1-7(2)11(12(21)14(15,16)17)18-13(22)9-6-10(8-4-5-8)20(3)19-9/h6-8,11-12,21H,4-5H2,1-3H3,(H,18,22)/t11-,12-/m0/s1.
What are the key properties of 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide?
5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide has a molecular weight of 319.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 138035362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).