(3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone

C13H18F3N3O2 — CID 167957598

IUPAC(3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone
SMILESCC1CC(O)CN(C(=O)c2cnn(CCC(F)(F)F)c2)C1
InChIInChI=1S/C13H18F3N3O2/c1-9-4-11(20)8-18(6-9)12(21)10-5-17-19(7-10)3-2-13(14,15)16/h5,7,9,11,20H,2-4,6,8H2,1H3
InChIKeyNYSCAEAOUGHICI-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.68
Rot. Bonds3

About (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone

(3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone (PubChem CID 167957598) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone
PubChem CID167957598
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name(3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone
SMILESCC1CC(O)CN(C(=O)c2cnn(CCC(F)(F)F)c2)C1
InChIInChI=1S/C13H18F3N3O2/c1-9-4-11(20)8-18(6-9)12(21)10-5-17-19(7-10)3-2-13(14,15)16/h5,7,9,11,20H,2-4,6,8H2,1H3
InChIKeyNYSCAEAOUGHICI-UHFFFAOYSA-N
XLogP1.68
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-Dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 132059793
(3R*,4R*)-4-(2-methoxyethyl)-3-methyl-1-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-4-piperidinol
CID 72911841
N,1-Dimethyl-N-[(3S,4R)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 132059820
N,1-dimethyl-N-[3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 132059792
N,1-dimethyl-N-[3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 132059795
N,1-dimethyl-N-[(3R,4S)-3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 132059796
N,1-dimethyl-N-[(3S,4R)-3-methyl-1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 132059821
N,1-dimethyl-N-[3-methyl-1-(3,3,3-trifluoro-2-hydroxypropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 132078376
N-[(3R,4S)-1-(2-fluoro-2-hydroxypropanoyl)-3-methylpiperidin-4-yl]-N,1-dimethylpyrazole-4-carboxamide
CID 132078790
(1-methyl-1H-pyrazol-4-yl)(4-(trifluoromethyl)piperidin-1-yl)methanone
CID 132371775
N,1-dimethyl-N-[(3R,4S)-3-methyl-1-[(2R)-3,3,3-trifluoro-2-hydroxypropanoyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 145388982
acetylene;N,1-dimethyl-N-[3-methyl-1-(3,3,3-trifluoro-2-hydroxypropanoyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 145388997

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone?
The IUPAC name of (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone (CID 167957598) is (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone.
What is the SMILES notation for (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone?
The canonical SMILES for (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone is CC1CC(O)CN(C(=O)c2cnn(CCC(F)(F)F)c2)C1.
What is the InChIKey of (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone?
The InChIKey is NYSCAEAOUGHICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-9-4-11(20)8-18(6-9)12(21)10-5-17-19(7-10)3-2-13(14,15)16/h5,7,9,11,20H,2-4,6,8H2,1H3.
What are the key properties of (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone?
(3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone has a molecular weight of 305.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-methylpiperidin-1-yl)-[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 167957598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).