5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H17F3N4O — CID 67523022

IUPAC5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CC(C(F)(F)F)CCN3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H17F3N4O/c1-7-8(2)19-12-6-11(20-21(12)13(7)22)10-5-9(3-4-18-10)14(15,16)17/h6,9-10,18,20H,3-5H2,1-2H3
InChIKeyJRJWKVVAYAAHHH-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.24
Rot. Bonds1

About 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 67523022) has the molecular formula C14H17F3N4O and a molecular weight of 314.31 g/mol. Its IUPAC name is 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID67523022
Molecular FormulaC14H17F3N4O
Molecular Weight314.31 g/mol
Exact Mass314.14
IUPAC Name5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CC(C(F)(F)F)CCN3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H17F3N4O/c1-7-8(2)19-12-6-11(20-21(12)13(7)22)10-5-9(3-4-18-10)14(15,16)17/h6,9-10,18,20H,3-5H2,1-2H3
InChIKeyJRJWKVVAYAAHHH-UHFFFAOYSA-N
XLogP2.24
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 67523022) is 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CC(C(F)(F)F)CCN3)[nH]n2c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JRJWKVVAYAAHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O/c1-7-8(2)19-12-6-11(20-21(12)13(7)22)10-5-9(3-4-18-10)14(15,16)17/h6,9-10,18,20H,3-5H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 314.31 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[4-(trifluoromethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 67523022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).