3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride

C13H15ClF3N4O- — CID 158152834

IUPAC3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride
SMILESCc1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12.[Cl-]
InChIInChI=1S/C13H15F3N4O.ClH/c1-7-11(13(14,15)16)19-20-9(6-10(21)18-12(7)20)8-2-4-17-5-3-8;/h6,8,17H,2-5H2,1H3,(H,18,21);1H/p-1
InChIKeyFVIDOMWVHRGWHB-UHFFFAOYSA-M
MW335.74 g/mol
LogP-1.18
Rot. Bonds1

About 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride

3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride (PubChem CID 158152834) has the molecular formula C13H15ClF3N4O- and a molecular weight of 335.74 g/mol. Its IUPAC name is 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride.

Molecular Properties

Compound Name3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride
PubChem CID158152834
Molecular FormulaC13H15ClF3N4O-
Molecular Weight335.74 g/mol
Exact Mass335.09
IUPAC Name3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride
SMILESCc1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12.[Cl-]
InChIInChI=1S/C13H15F3N4O.ClH/c1-7-11(13(14,15)16)19-20-9(6-10(21)18-12(7)20)8-2-4-17-5-3-8;/h6,8,17H,2-5H2,1H3,(H,18,21);1H/p-1
InChIKeyFVIDOMWVHRGWHB-UHFFFAOYSA-M
XLogP-1.18
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.74
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

US10118930, Example 24
CID 137018454
US10118930, Example 457
CID 137018477
US10118930, Example 429
CID 137018588
US10118930, Example 454
CID 137018702
US10118930, Example 30
CID 137018250
US10118930, Example 317
CID 137018316
US10118930, Example 421
CID 137018363
US10118930, Example 422
CID 137018364
US10118930, Example 432
CID 137018384
US10118930, Example 319
CID 137018405
US10118930, Example 401
CID 137018408
US10118930, Example 400
CID 137018413

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride?
The IUPAC name of 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride (CID 158152834) is 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride.
What is the SMILES notation for 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride?
The canonical SMILES for 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride is Cc1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12.[Cl-].
What is the InChIKey of 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride?
The InChIKey is FVIDOMWVHRGWHB-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H15F3N4O.ClH/c1-7-11(13(14,15)16)19-20-9(6-10(21)18-12(7)20)8-2-4-17-5-3-8;/h6,8,17H,2-5H2,1H3,(H,18,21);1H/p-1.
What are the key properties of 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride?
3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride has a molecular weight of 335.74 g/mol, XLogP of -1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidin-5-one chloride is sourced from PubChem (CID 158152834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).