(3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

C13H18F3N3O2 — CID 110912811

IUPAC(3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCC(C)n1ncc(C(=O)N2CCCC(O)C2)c1C(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-8(2)19-11(13(14,15)16)10(6-17-19)12(21)18-5-3-4-9(20)7-18/h6,8-9,20H,3-5,7H2,1-2H3
InChIKeyMNOPBIAWGURAJG-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.08
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone

(3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone (PubChem CID 110912811) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
PubChem CID110912811
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name(3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
SMILESCC(C)n1ncc(C(=O)N2CCCC(O)C2)c1C(F)(F)F
InChIInChI=1S/C13H18F3N3O2/c1-8(2)19-11(13(14,15)16)10(6-17-19)12(21)18-5-3-4-9(20)7-18/h6,8-9,20H,3-5,7H2,1-2H3
InChIKeyMNOPBIAWGURAJG-UHFFFAOYSA-N
XLogP2.08
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-methylpiperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 124591095
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 124589246
(3-aminopiperidin-1-yl)-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119380884
(3S)-1-[1-ethyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 124576619
[3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone
CID 119492597
1-propan-2-yl-N-[(2R)-4-pyrrolidin-1-ylbutan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 95321875
[(3S)-3-hydroxypiperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 93032469
(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 42929602
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone;hydrochloride
CID 119596695
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-(3-hydroxypiperidin-1-yl)methanone
CID 110885866
[(3S)-3-hydroxypiperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 107224385
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 111561271

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone (CID 110912811) is (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone is CC(C)n1ncc(C(=O)N2CCCC(O)C2)c1C(F)(F)F.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
The InChIKey is MNOPBIAWGURAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8(2)19-11(13(14,15)16)10(6-17-19)12(21)18-5-3-4-9(20)7-18/h6,8-9,20H,3-5,7H2,1-2H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone?
(3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone has a molecular weight of 305.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 110912811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).