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

C13H8F6N4O2 — CID 40653702

IUPAC(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESO[C@@]1(C(F)(F)F)CC=NN1c1nc(-c2ccco2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H8F6N4O2/c14-12(15,16)9-6-7(8-2-1-5-25-8)21-10(22-9)23-11(24,3-4-20-23)13(17,18)19/h1-2,4-6,24H,3H2/t11-/m1/s1
InChIKeyOYWISBNSXYAQNV-LLVKDONJSA-N
MW366.22 g/mol
LogP3.20
Rot. Bonds2

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

(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol (PubChem CID 40653702) has the molecular formula C13H8F6N4O2 and a molecular weight of 366.22 g/mol. Its IUPAC name is (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
PubChem CID40653702
Molecular FormulaC13H8F6N4O2
Molecular Weight366.22 g/mol
Exact Mass366.06
IUPAC Name(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
SMILESO[C@@]1(C(F)(F)F)CC=NN1c1nc(-c2ccco2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H8F6N4O2/c14-12(15,16)9-6-7(8-2-1-5-25-8)21-10(22-9)23-11(24,3-4-20-23)13(17,18)19/h1-2,4-6,24H,3H2/t11-/m1/s1
InChIKeyOYWISBNSXYAQNV-LLVKDONJSA-N
XLogP3.20
TPSA74.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-methyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 40600389
1-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]benzimidazole
CID 3241637
2-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine chloride
CID 53346658
5-phenyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 11236321
4-(furan-2-yl)-2-(4-phenyltriazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 167530542
4-(furan-2-yl)-2-(3-nitropyrazol-1-yl)-6-(trifluoromethyl)pyrimidine
CID 4074995
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(trifluoromethyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
CID 19582756
N-butyl-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 164627594
7-chloro-2-(furan-2-yl)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82270027
2-[3,5-bis(3-bromophenyl)pyrazol-1-yl]-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine
CID 19583785
2-[4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-5-(4-methylphenyl)-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 19582773
4-(furan-2-yl)-2-[4-methyl-3,5-bis(3-methylphenyl)pyrazol-1-yl]-6-(trifluoromethyl)pyrimidine
CID 19586286

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The IUPAC name of (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol (CID 40653702) is (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol.
What is the SMILES notation for (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The canonical SMILES for (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol is O[C@@]1(C(F)(F)F)CC=NN1c1nc(-c2ccco2)cc(C(F)(F)F)n1.
What is the InChIKey of (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
The InChIKey is OYWISBNSXYAQNV-LLVKDONJSA-N. The full InChI is InChI=1S/C13H8F6N4O2/c14-12(15,16)9-6-7(8-2-1-5-25-8)21-10(22-9)23-11(24,3-4-20-23)13(17,18)19/h1-2,4-6,24H,3H2/t11-/m1/s1.
What are the key properties of (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol?
(3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol has a molecular weight of 366.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-(trifluoromethyl)-4H-pyrazol-3-ol is sourced from PubChem (CID 40653702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).