4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol

C15H9F9N6O2 — CID 177210199

IUPAC4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol
SMILESOC(c1cnc(C(F)(F)F)nc1)C1C(C(F)(F)F)=NN(c2cnc(C(F)(F)F)nc2)C1O
InChIInChI=1S/C15H9F9N6O2/c16-13(17,18)9-7(8(31)5-1-25-11(26-2-5)14(19,20)21)10(32)30(29-9)6-3-27-12(28-4-6)15(22,23)24/h1-4,7-8,10,31-32H
InChIKeyZEPHSPYTUBVWGF-UHFFFAOYSA-N
MW476.26 g/mol
LogP2.71
Rot. Bonds3

About 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol

4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol (PubChem CID 177210199) has the molecular formula C15H9F9N6O2 and a molecular weight of 476.26 g/mol. Its IUPAC name is 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol.

Molecular Properties

Compound Name4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol
PubChem CID177210199
Molecular FormulaC15H9F9N6O2
Molecular Weight476.26 g/mol
Exact Mass476.06
IUPAC Name4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol
SMILESOC(c1cnc(C(F)(F)F)nc1)C1C(C(F)(F)F)=NN(c2cnc(C(F)(F)F)nc2)C1O
InChIInChI=1S/C15H9F9N6O2/c16-13(17,18)9-7(8(31)5-1-25-11(26-2-5)14(19,20)21)10(32)30(29-9)6-3-27-12(28-4-6)15(22,23)24/h1-4,7-8,10,31-32H
InChIKeyZEPHSPYTUBVWGF-UHFFFAOYSA-N
XLogP2.71
TPSA107.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol with MolForge

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Related Compounds

4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-methyl-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol
CID 172578462
4-[4-[[4-cyano-3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]-3-hydroxy-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]-2,6-dimethylbenzonitrile
CID 174306750
2-[2,6-bis(trifluoromethyl)-4-pyridinyl]-4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]-hydroxymethyl]-3-hydroxy-3,4-dihydropyrazole-5-carbonitrile
CID 170785935
1-[2-(trifluoromethyl)pyrimidin-5-yl]prop-2-yn-1-ol
CID 141463807
4-bromo-1-[2-(trifluoromethyl)pyrimidin-5-yl]butane-1,2-diol
CID 171892373
2-amino-2-[2-(trifluoromethyl)pyrimidin-5-yl]acetic acid
CID 82392538
2-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol
CID 170785969
5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol
CID 170785944
2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 159606910
(1S)-5-(trifluoromethyl)-3,7-bis[2-(trifluoromethyl)-4-pyridinyl]-3,4-diazabicyclo[4.1.0]hept-4-ene-2,7-diol
CID 170785905
methyl 3,4-dihydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]butanoate
CID 171895954
1-[2-(trifluoromethyl)pyrimidin-5-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134608188

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol?
The IUPAC name of 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol (CID 177210199) is 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol.
What is the SMILES notation for 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol?
The canonical SMILES for 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol is OC(c1cnc(C(F)(F)F)nc1)C1C(C(F)(F)F)=NN(c2cnc(C(F)(F)F)nc2)C1O.
What is the InChIKey of 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol?
The InChIKey is ZEPHSPYTUBVWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F9N6O2/c16-13(17,18)9-7(8(31)5-1-25-11(26-2-5)14(19,20)21)10(32)30(29-9)6-3-27-12(28-4-6)15(22,23)24/h1-4,7-8,10,31-32H.
What are the key properties of 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol?
4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol has a molecular weight of 476.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydropyrazol-3-ol is sourced from PubChem (CID 177210199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).