(5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

C12H12F3N5O — CID 6926517

IUPAC(5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESCc1cc2ncc(C3=NN[C@@](O)(C(F)(F)F)C3)c(C)n2n1
InChIInChI=1S/C12H12F3N5O/c1-6-3-10-16-5-8(7(2)20(10)18-6)9-4-11(21,19-17-9)12(13,14)15/h3,5,19,21H,4H2,1-2H3/t11-/m0/s1
InChIKeyFCSKGXSEFSYDLY-NSHDSACASA-N
MW299.26 g/mol
LogP1.29
Rot. Bonds1

About (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol

(5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (PubChem CID 6926517) has the molecular formula C12H12F3N5O and a molecular weight of 299.26 g/mol. Its IUPAC name is (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.

Molecular Properties

Compound Name(5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
PubChem CID6926517
Molecular FormulaC12H12F3N5O
Molecular Weight299.26 g/mol
Exact Mass299.10
IUPAC Name(5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol
SMILESCc1cc2ncc(C3=NN[C@@](O)(C(F)(F)F)C3)c(C)n2n1
InChIInChI=1S/C12H12F3N5O/c1-6-3-10-16-5-8(7(2)20(10)18-6)9-4-11(21,19-17-9)12(13,14)15/h3,5,19,21H,4H2,1-2H3/t11-/m0/s1
InChIKeyFCSKGXSEFSYDLY-NSHDSACASA-N
XLogP1.29
TPSA74.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The IUPAC name of (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol (CID 6926517) is (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol.
What is the SMILES notation for (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The canonical SMILES for (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is Cc1cc2ncc(C3=NN[C@@](O)(C(F)(F)F)C3)c(C)n2n1.
What is the InChIKey of (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
The InChIKey is FCSKGXSEFSYDLY-NSHDSACASA-N. The full InChI is InChI=1S/C12H12F3N5O/c1-6-3-10-16-5-8(7(2)20(10)18-6)9-4-11(21,19-17-9)12(13,14)15/h3,5,19,21H,4H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol?
(5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol has a molecular weight of 299.26 g/mol, XLogP of 1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-5-(trifluoromethyl)-1,4-dihydropyrazol-5-ol is sourced from PubChem (CID 6926517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).