2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

C13H12F3N5O2 — CID 4161269

IUPAC2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(N2N=C(c3ccco3)CC2(O)C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H12F3N5O2/c1-7-5-10(19-11(17)18-7)21-12(22,13(14,15)16)6-8(20-21)9-3-2-4-23-9/h2-5,22H,6H2,1H3,(H2,17,18,19)
InChIKeyJSZOWRVLIWHNAV-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.83
Rot. Bonds2

About 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol

2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 4161269) has the molecular formula C13H12F3N5O2 and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID4161269
Molecular FormulaC13H12F3N5O2
Molecular Weight327.27 g/mol
Exact Mass327.09
IUPAC Name2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(N2N=C(c3ccco3)CC2(O)C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H12F3N5O2/c1-7-5-10(19-11(17)18-7)21-12(22,13(14,15)16)6-8(20-21)9-3-2-4-23-9/h2-5,22H,6H2,1H3,(H2,17,18,19)
InChIKeyJSZOWRVLIWHNAV-UHFFFAOYSA-N
XLogP1.83
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 4161269) is 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is Cc1cc(N2N=C(c3ccco3)CC2(O)C(F)(F)F)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is JSZOWRVLIWHNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2/c1-7-5-10(19-11(17)18-7)21-12(22,13(14,15)16)6-8(20-21)9-3-2-4-23-9/h2-5,22H,6H2,1H3,(H2,17,18,19).
What are the key properties of 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 327.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylpyrimidin-4-yl)-5-(furan-2-yl)-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 4161269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).