[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C17H17F3N6O — CID 95225214

IUPAC[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)c2n1
InChIInChI=1S/C17H17F3N6O/c1-10-7-14(17(18,19)20)26-15(23-10)12(8-22-26)16(27)25-6-2-3-11(9-25)13-4-5-21-24-13/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyGBAJJPVSUIJSGB-NSHDSACASA-N
MW378.36 g/mol
LogP2.80
Rot. Bonds2

About [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95225214) has the molecular formula C17H17F3N6O and a molecular weight of 378.36 g/mol. Its IUPAC name is [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID95225214
Molecular FormulaC17H17F3N6O
Molecular Weight378.36 g/mol
Exact Mass378.14
IUPAC Name[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)c2n1
InChIInChI=1S/C17H17F3N6O/c1-10-7-14(17(18,19)20)26-15(23-10)12(8-22-26)16(27)25-6-2-3-11(9-25)13-4-5-21-24-13/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,21,24)/t11-/m0/s1
InChIKeyGBAJJPVSUIJSGB-NSHDSACASA-N
XLogP2.80
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95225215
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605858
(4-fluoro-2-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 115745859
(2-bromo-5-methylphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 80983810
(2-chloro-5-fluoro-3-pyridinyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 103892263
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
[3-(2,2-dimethylpropylamino)-2-methylphenyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126772863
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]-[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 99926957
(1-tert-butylpyrazol-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 100669470
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717

Frequently Asked Questions

What is the IUPAC name of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95225214) is [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)c2n1.
What is the InChIKey of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is GBAJJPVSUIJSGB-NSHDSACASA-N. The full InChI is InChI=1S/C17H17F3N6O/c1-10-7-14(17(18,19)20)26-15(23-10)12(8-22-26)16(27)25-6-2-3-11(9-25)13-4-5-21-24-13/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,21,24)/t11-/m0/s1.
What are the key properties of [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 378.36 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95225214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).