6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C12H13F3N4 — CID 84809093

IUPAC6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncc(C3CCCCN3)cn2n1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)10-5-11-17-6-8(7-19(11)18-10)9-3-1-2-4-16-9/h5-7,9,16H,1-4H2
InChIKeyRTQHREISHJSUNY-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.56
Rot. Bonds1

About 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 84809093) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID84809093
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1cc2ncc(C3CCCCN3)cn2n1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)10-5-11-17-6-8(7-19(11)18-10)9-3-1-2-4-16-9/h5-7,9,16H,1-4H2
InChIKeyRTQHREISHJSUNY-UHFFFAOYSA-N
XLogP2.56
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
3-Bromo-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53325998
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 53319425
5-(Piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318088
4-N-methyl-2-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72203468
5,6-Dimethyl-N-octylpyrazolo[1,5-A]pyrimidin-7-amine
CID 12366060
trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558359
4-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexane-1,4-diamine
CID 146558727
3-ethyl-5-methyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44317959
(3S)-1-(5-isopropylpyrazolo[1,5-a]pyrimidin-7-yl)-3-piperidinamine
CID 56907968

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 84809093) is 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1cc2ncc(C3CCCCN3)cn2n1.
What is the InChIKey of 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RTQHREISHJSUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c13-12(14,15)10-5-11-17-6-8(7-19(11)18-10)9-3-1-2-4-16-9/h5-7,9,16H,1-4H2.
What are the key properties of 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 270.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-2-yl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 84809093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).