5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol

C11H12F3N3O2 — CID 170785944

IUPAC5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol
SMILESCC1=NN(c2ccncc2)C(O)C1C(O)C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-6-8(9(18)11(12,13)14)10(19)17(16-6)7-2-4-15-5-3-7/h2-5,8-10,18-19H,1H3
InChIKeyMDQKNYSASZIVHO-UHFFFAOYSA-N
MW275.23 g/mol
LogP1.14
Rot. Bonds2

About 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol

5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol (PubChem CID 170785944) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol.

Molecular Properties

Compound Name5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol
PubChem CID170785944
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC Name5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol
SMILESCC1=NN(c2ccncc2)C(O)C1C(O)C(F)(F)F
InChIInChI=1S/C11H12F3N3O2/c1-6-8(9(18)11(12,13)14)10(19)17(16-6)7-2-4-15-5-3-7/h2-5,8-10,18-19H,1H3
InChIKeyMDQKNYSASZIVHO-UHFFFAOYSA-N
XLogP1.14
TPSA68.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol?
The IUPAC name of 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol (CID 170785944) is 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol.
What is the SMILES notation for 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol?
The canonical SMILES for 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol is CC1=NN(c2ccncc2)C(O)C1C(O)C(F)(F)F.
What is the InChIKey of 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol?
The InChIKey is MDQKNYSASZIVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-6-8(9(18)11(12,13)14)10(19)17(16-6)7-2-4-15-5-3-7/h2-5,8-10,18-19H,1H3.
What are the key properties of 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol?
5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol has a molecular weight of 275.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyridin-4-yl-4-(2,2,2-trifluoro-1-hydroxyethyl)-3,4-dihydropyrazol-3-ol is sourced from PubChem (CID 170785944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).