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

C11H9ClF3N3O — CID 175719552

IUPAC(R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESO[C@@H](c1ccn(CC(F)(F)F)n1)c1ccncc1Cl
InChIInChI=1S/C11H9ClF3N3O/c12-8-5-16-3-1-7(8)10(19)9-2-4-18(17-9)6-11(13,14)15/h1-5,10,19H,6H2/t10-/m1/s1
InChIKeyNIOAALSYZOTTLD-SNVBAGLBSA-N
MW291.66 g/mol
LogP2.58
Rot. Bonds3

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

(R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (PubChem CID 175719552) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is (R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.

Molecular Properties

Compound Name(R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
PubChem CID175719552
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name(R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol
SMILESO[C@@H](c1ccn(CC(F)(F)F)n1)c1ccncc1Cl
InChIInChI=1S/C11H9ClF3N3O/c12-8-5-16-3-1-7(8)10(19)9-2-4-18(17-9)6-11(13,14)15/h1-5,10,19H,6H2/t10-/m1/s1
InChIKeyNIOAALSYZOTTLD-SNVBAGLBSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The IUPAC name of (R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol (CID 175719552) is (R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol.
What is the SMILES notation for (R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The canonical SMILES for (R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is O[C@@H](c1ccn(CC(F)(F)F)n1)c1ccncc1Cl.
What is the InChIKey of (R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
The InChIKey is NIOAALSYZOTTLD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c12-8-5-16-3-1-7(8)10(19)9-2-4-18(17-9)6-11(13,14)15/h1-5,10,19H,6H2/t10-/m1/s1.
What are the key properties of (R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol?
(R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol has a molecular weight of 291.66 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chloro-4-pyridinyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanol is sourced from PubChem (CID 175719552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).