(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol

C12H12F3N3O — CID 163474994

IUPAC(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESCc1cnccc1C(O)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O/c1-8-6-16-4-2-9(8)11(19)10-3-5-18(17-10)7-12(13,14)15/h2-6,11,19H,7H2,1H3
InChIKeyXETUFMFZMABCJY-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.23
Rot. Bonds3

About (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol

(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (PubChem CID 163474994) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
PubChem CID163474994
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESCc1cnccc1C(O)c1ccn(CC(F)(F)F)n1
InChIInChI=1S/C12H12F3N3O/c1-8-6-16-4-2-9(8)11(19)10-3-5-18(17-10)7-12(13,14)15/h2-6,11,19H,7H2,1H3
InChIKeyXETUFMFZMABCJY-UHFFFAOYSA-N
XLogP2.23
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The IUPAC name of (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (CID 163474994) is (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The canonical SMILES for (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is Cc1cnccc1C(O)c1ccn(CC(F)(F)F)n1.
What is the InChIKey of (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The InChIKey is XETUFMFZMABCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8-6-16-4-2-9(8)11(19)10-3-5-18(17-10)7-12(13,14)15/h2-6,11,19H,7H2,1H3.
What are the key properties of (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
(3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol has a molecular weight of 271.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 163474994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).