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

C15H17F3N4O2 — CID 138035360

IUPAC5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cn[nH]c1-c1cccnc1)[C@H](O)C(F)(F)F
InChIInChI=1S/C15H17F3N4O2/c1-8(2)11(13(23)15(16,17)18)21-14(24)10-7-20-22-12(10)9-4-3-5-19-6-9/h3-8,11,13,23H,1-2H3,(H,20,22)(H,21,24)/t11-,13-/m0/s1
InChIKeyBDLHUNGEXLWGME-AAEUAGOBSA-N
MW342.32 g/mol
LogP2.15
Rot. Bonds5

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

5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 138035360) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is 5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID138035360
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cn[nH]c1-c1cccnc1)[C@H](O)C(F)(F)F
InChIInChI=1S/C15H17F3N4O2/c1-8(2)11(13(23)15(16,17)18)21-14(24)10-7-20-22-12(10)9-4-3-5-19-6-9/h3-8,11,13,23H,1-2H3,(H,20,22)(H,21,24)/t11-,13-/m0/s1
InChIKeyBDLHUNGEXLWGME-AAEUAGOBSA-N
XLogP2.15
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 95316928
N-(2-hydroxyphenyl)-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 167900619
5-(4-fluorophenyl)-N-(3-pyridin-3-yl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-4-carboxamide
CID 167960338
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 155944607
5-pyridin-3-yl-N-(3-pyridin-4-yloxyphenyl)-1H-pyrazole-4-carboxamide
CID 166203360
5-(4-fluorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 25330536
N-butan-2-yl-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 24638552
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
N,N-dimethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43778170
(2S)-2-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 120615270
N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide
CID 166230930
N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 119630747

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide (CID 138035360) is 5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide is CC(C)[C@H](NC(=O)c1cn[nH]c1-c1cccnc1)[C@H](O)C(F)(F)F.
What is the InChIKey of 5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is BDLHUNGEXLWGME-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-8(2)11(13(23)15(16,17)18)21-14(24)10-7-20-22-12(10)9-4-3-5-19-6-9/h3-8,11,13,23H,1-2H3,(H,20,22)(H,21,24)/t11-,13-/m0/s1.
What are the key properties of 5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide?
5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 138035360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).