2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

C15H14F3N3O — CID 123362254

IUPAC2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESC=Cc1cnn(-c2cncc(C(C)(O)C(F)(F)F)c2)c1C=C
InChIInChI=1S/C15H14F3N3O/c1-4-10-7-20-21(13(10)5-2)12-6-11(8-19-9-12)14(3,22)15(16,17)18/h4-9,22H,1-2H2,3H3
InChIKeyURZXJTXQFPTKOO-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.32
Rot. Bonds4

About 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol

2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 123362254) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID123362254
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESC=Cc1cnn(-c2cncc(C(C)(O)C(F)(F)F)c2)c1C=C
InChIInChI=1S/C15H14F3N3O/c1-4-10-7-20-21(13(10)5-2)12-6-11(8-19-9-12)14(3,22)15(16,17)18/h4-9,22H,1-2H2,3H3
InChIKeyURZXJTXQFPTKOO-UHFFFAOYSA-N
XLogP3.32
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 123362254) is 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is C=Cc1cnn(-c2cncc(C(C)(O)C(F)(F)F)c2)c1C=C.
What is the InChIKey of 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is URZXJTXQFPTKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-4-10-7-20-21(13(10)5-2)12-6-11(8-19-9-12)14(3,22)15(16,17)18/h4-9,22H,1-2H2,3H3.
What are the key properties of 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol?
2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 309.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4,5-bis(ethenyl)pyrazol-1-yl]-3-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 123362254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).