2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

C15H18F3N5O — CID 56706166

IUPAC2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCC(C)c1cc(N2Cc3cnn(CCO)c3C2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O/c1-9(2)11-5-13(21-14(20-11)15(16,17)18)22-7-10-6-19-23(3-4-24)12(10)8-22/h5-6,9,24H,3-4,7-8H2,1-2H3
InChIKeyMSCHHGFUTLRKPV-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.33
Rot. Bonds4

About 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol

2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (PubChem CID 56706166) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
PubChem CID56706166
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol
SMILESCC(C)c1cc(N2Cc3cnn(CCO)c3C2)nc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N5O/c1-9(2)11-5-13(21-14(20-11)15(16,17)18)22-7-10-6-19-23(3-4-24)12(10)8-22/h5-6,9,24H,3-4,7-8H2,1-2H3
InChIKeyMSCHHGFUTLRKPV-UHFFFAOYSA-N
XLogP2.33
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol (CID 56706166) is 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is CC(C)c1cc(N2Cc3cnn(CCO)c3C2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
The InChIKey is MSCHHGFUTLRKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9(2)11-5-13(21-14(20-11)15(16,17)18)22-7-10-6-19-23(3-4-24)12(10)8-22/h5-6,9,24H,3-4,7-8H2,1-2H3.
What are the key properties of 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol?
2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol has a molecular weight of 341.34 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]ethanol is sourced from PubChem (CID 56706166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).