(2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol

C16H16F2N4O — CID 15337562

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol
SMILESC[C@@H](n1cccn1)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N4O/c1-12(22-7-2-5-20-22)16(23,10-21-8-6-19-11-21)14-4-3-13(17)9-15(14)18/h2-9,11-12,23H,10H2,1H3/t12-,16-/m1/s1
InChIKeyFLYVJPDNOVOCOB-MLGOLLRUSA-N
MW318.33 g/mol
LogP2.51
Rot. Bonds5

About (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol

(2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol (PubChem CID 15337562) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol
PubChem CID15337562
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol
SMILESC[C@@H](n1cccn1)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N4O/c1-12(22-7-2-5-20-22)16(23,10-21-8-6-19-11-21)14-4-3-13(17)9-15(14)18/h2-9,11-12,23H,10H2,1H3/t12-,16-/m1/s1
InChIKeyFLYVJPDNOVOCOB-MLGOLLRUSA-N
XLogP2.51
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol?
The IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol (CID 15337562) is (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol.
What is the SMILES notation for (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol?
The canonical SMILES for (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol is C[C@@H](n1cccn1)[C@](O)(Cn1ccnc1)c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol?
The InChIKey is FLYVJPDNOVOCOB-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-12(22-7-2-5-20-22)16(23,10-21-8-6-19-11-21)14-4-3-13(17)9-15(14)18/h2-9,11-12,23H,10H2,1H3/t12-,16-/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol?
(2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol has a molecular weight of 318.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-difluorophenyl)-1-imidazol-1-yl-3-pyrazol-1-ylbutan-2-ol is sourced from PubChem (CID 15337562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).