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

C15H14F3N5O — CID 3713594

IUPAC2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(N2N=C(c3ccccc3)CC2(O)C(F)(F)F)nc(N)n1
InChIInChI=1S/C15H14F3N5O/c1-9-7-12(21-13(19)20-9)23-14(24,15(16,17)18)8-11(22-23)10-5-3-2-4-6-10/h2-7,24H,8H2,1H3,(H2,19,20,21)
InChIKeySKXIRHRQEMYFEA-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.23
Rot. Bonds2

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

2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 3713594) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID3713594
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(N2N=C(c3ccccc3)CC2(O)C(F)(F)F)nc(N)n1
InChIInChI=1S/C15H14F3N5O/c1-9-7-12(21-13(19)20-9)23-14(24,15(16,17)18)8-11(22-23)10-5-3-2-4-6-10/h2-7,24H,8H2,1H3,(H2,19,20,21)
InChIKeySKXIRHRQEMYFEA-UHFFFAOYSA-N
XLogP2.23
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 3713594) is 2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol is Cc1cc(N2N=C(c3ccccc3)CC2(O)C(F)(F)F)nc(N)n1.
What is the InChIKey of 2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is SKXIRHRQEMYFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-9-7-12(21-13(19)20-9)23-14(24,15(16,17)18)8-11(22-23)10-5-3-2-4-6-10/h2-7,24H,8H2,1H3,(H2,19,20,21).
What are the key properties of 2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 337.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-methylpyrimidin-4-yl)-5-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 3713594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).