2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol

C10H8F6N4O — CID 12025783

IUPAC2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(C(F)(F)F)nc(N2N=CCC2(O)C(F)(F)F)n1
InChIInChI=1S/C10H8F6N4O/c1-5-4-6(9(11,12)13)19-7(18-5)20-8(21,2-3-17-20)10(14,15)16/h3-4,21H,2H2,1H3
InChIKeyUEXTTWYPQBHQAL-UHFFFAOYSA-N
MW314.19 g/mol
LogP2.25
Rot. Bonds1

About 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol

2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 12025783) has the molecular formula C10H8F6N4O and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID12025783
Molecular FormulaC10H8F6N4O
Molecular Weight314.19 g/mol
Exact Mass314.06
IUPAC Name2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESCc1cc(C(F)(F)F)nc(N2N=CCC2(O)C(F)(F)F)n1
InChIInChI=1S/C10H8F6N4O/c1-5-4-6(9(11,12)13)19-7(18-5)20-8(21,2-3-17-20)10(14,15)16/h3-4,21H,2H2,1H3
InChIKeyUEXTTWYPQBHQAL-UHFFFAOYSA-N
XLogP2.25
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
CID 4890845
2-[3,5-Bis(trifluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
CID 76309277
(3R)-2-(4,6-dimethylpyrimidin-2-yl)-3,5-bis(trifluoromethyl)-4H-pyrazol-3-ol
CID 76320788
5-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol
CID 11417573
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trichloromethyl)-4H-pyrazol-3-ol
CID 12025784
5-methyl-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 15496828
Xtfuxzrfscemac-uhfffaoysa-
CID 21583107
5-methyl-2-[4-methyl-6-(trichloromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 21583108
(1E)-2-[4,6-bis(trifluoromethyl)pyrimidin-2-yl]-1-but-3-enylideneguanidine
CID 144219830
4-Methyl-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 15496827
5-propyl-2-[4-propyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 21630376
5-tert-butyl-2-[4-tert-butyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 21630377

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 12025783) is 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol is Cc1cc(C(F)(F)F)nc(N2N=CCC2(O)C(F)(F)F)n1.
What is the InChIKey of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is UEXTTWYPQBHQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N4O/c1-5-4-6(9(11,12)13)19-7(18-5)20-8(21,2-3-17-20)10(14,15)16/h3-4,21H,2H2,1H3.
What are the key properties of 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 314.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 12025783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).