[3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

C14H15F3N4O2 — CID 142410175

IUPAC[3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCCC(CO)C1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)11-3-4-18-12-6-10(19-21(11)12)13(23)20-5-1-2-9(7-20)8-22/h3-4,6,9,22H,1-2,5,7-8H2
InChIKeyZPYYRUFGFYDOMS-UHFFFAOYSA-N
MW328.29 g/mol
LogP1.59
Rot. Bonds2

About [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone

[3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (PubChem CID 142410175) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
PubChem CID142410175
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name[3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
SMILESO=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCCC(CO)C1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)11-3-4-18-12-6-10(19-21(11)12)13(23)20-5-1-2-9(7-20)8-22/h3-4,6,9,22H,1-2,5,7-8H2
InChIKeyZPYYRUFGFYDOMS-UHFFFAOYSA-N
XLogP1.59
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-[(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]-3-piperidinecarboxylate
CID 2982630
US11142526, Example 150
CID 137533096
(4-Ethylpiperidin-1-yl)-pyrazolo[1,5-a]pyrimidin-5-ylmethanone
CID 126834528
N-[(1R,5R)-3-oxabicyclo[3.1.0]hexan-1-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 138008969
N-[(3S)-4,4,4-trifluoro-3-hydroxy-2-methylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 164633780
1,1,1,3,3,3-Hexafluoropropan-2-yl 1-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 137533146
Ethane;[3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 142410174
6-(2-Hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-A]pyrimidine-2-carboxamide
CID 121511078
N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 127266142
N-ethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 129561440
N-ethyl-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 129561443
N-[(1-methylpiperidin-4-yl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 132390513

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The IUPAC name of [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone (CID 142410175) is [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone.
What is the SMILES notation for [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The canonical SMILES for [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is O=C(c1cc2nccc(C(F)(F)F)n2n1)N1CCCC(CO)C1.
What is the InChIKey of [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
The InChIKey is ZPYYRUFGFYDOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c15-14(16,17)11-3-4-18-12-6-10(19-21(11)12)13(23)20-5-1-2-9(7-20)8-22/h3-4,6,9,22H,1-2,5,7-8H2.
What are the key properties of [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone?
[3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone has a molecular weight of 328.29 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)piperidin-1-yl]-[7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone is sourced from PubChem (CID 142410175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).